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  • Three-dimensional titanium oxide nanoarrays for perovskite photovoltaics: surface engineering for cascade charge extraction and beneficial surface passivation
    Sustainable Energy Fuels Pub Date : 2017-09-22
    Wu-Qiang Wu, Dehong Chen, Yi-Bing Cheng, Rachel A. Caruso
    更新日期:2017-09-22
  • Molybdenum diboride nanoparticles as a highly efficient electrocatalyst for the hydrogen evolution reaction
    Sustainable Energy Fuels Pub Date : 2017-09-07
    Palani R. Jothi, Yuemei Zhang, Jan P. Scheifers, Hyounmyung Park, Boniface P. T. Fokwa
    更新日期:2017-09-22
  • Designing transition metal and nitrogen-codoped SrTiO3(001) perovskite surfaces as efficient photocatalysts for water splitting
    Sustainable Energy Fuels Pub Date : 2017-08-29
    Yang Yang, Weijie Zheng, Daojian Cheng, Dapeng Cao
    更新日期:2017-09-22
  • Stabilizing organic photocathodes by low-temperature atomic layer deposition of TiO2
    Sustainable Energy Fuels Pub Date : 2017-09-21
    Ludmilla Steier, Sebastiano Bellani, Hansel Comas-Rojas, Linfeng Pan, Mikko Laitinen, Timo Sajavaara, Fabio Di Fonzo, Michael Grätzel, Maria Rosa Antognazza, Matthew T. Mayer

    Organic semiconductor light absorbers are receiving attention for their potential application in photoelectrochemical (PEC) cells for renewable fuels generation. Key to their advancement is precise control of the interfaces between charge-selective contacts, absorber layers, and electrocatalysts, while maintaining compatibility with an aqueous electrolyte environment. Here we demonstrate a new process for low-temperature atomic layer deposition (ALD) of TiO2 onto a P3HT:PCBM polymer blend surface for stable high-performance organic PEC photocathodes. This ALD TiO2 layer provides three key functions: 1) formation of an electron-selective contact to the polymer to enable photovoltage and photocurrent generation, 2) a robust interface for conducting charge between the photoabsorber and electrocatalyst layers, and 3) a pinhole-free barrier to water penetration, preventing corrosion of the underlying materials. The resulting device based on the architecture CuI/P3HT:PCBM/TiO2/RuOx showed excellent performance and stability during PEC hydrogen-evolution. More broadly, the achievement of ALD film formation on a polymer surface opens doors in the field of functional organic–inorganic electronic interfaces.

    更新日期:2017-09-21
  • Pentaerythritol based push–pull tetramers for organic photovoltaics
    Sustainable Energy Fuels Pub Date : 2017-09-13
    Antoine Labrunie, Pierre Josse, Sylvie Dabos-Seignon, Philippe Blanchard, Clément Cabanetos
    更新日期:2017-09-21
  • Enhanced Catalytic Activity and Stability of Pt Nanoparticles by Surface Coating of Nanosized Graphene Oxide for Hydrogen Production from Hydrolysis of Ammonia-Borane
    Sustainable Energy Fuels Pub Date : 2017-09-18
    Wanyue Ye, Yuzhen Ge, Zhanming Gao, Rongwen Lu, Shufen Zhang

    We report the electronic modification of silica supported Pt nanoparticles (SiO2@Pt) by coating 1 nm thin layer of nanosized graphene oxide (NGO). The resulted SiO2@Pt@NGO showed much enhanced catalytic activity and stability for hydrogen production from hydrolysis of ammonia-borane comparing with SiO2@Pt and graphene supported Pt nanoparticles, with an impressive initial TOF value reaching 324.6 molH2 molPt−1 min−1. Detailed characterization by means of HRTEM and EDS element mapping proved the structural correctness of SiO2@Pt@NGO. The XPS results showed that the binding energy of Pt0 4f7/2 in SiO2@Pt@NGO was 71.12 eV slightly higher than Pt0 4f7/2 of 70.84 eV in SiO2@Pt, indicating the more electron-deficient Pt atoms after the interaction with NGO, which may be responsible for the enhanced catalytic performance.

    更新日期:2017-09-19
  • Solvent Consumption in Non-Catalytic Alcohol Solvolysis of Biorefinery Lignin
    Sustainable Energy Fuels Pub Date : 2017-09-18
    Joachim Bachmann Nielsen, Anders Jensen, Christian Bækhøj Schandel, Claus Felby, Anker Degn Jensen

    Lignin solvolysis in supercritical alcohols provides a method for producing a deoxygenated liquid bio-oil. Solvent consumption is however inevitable and due to the high cost of alcohols, relative to a bio-oil product, it can hinder commercial viability. In order to investigate the reactions of solvent consumption we studied solvolysis of biorefinery lignin in several primary alcohols. Lignin solvolysis in methanol, ethanol, 1-propanol and 1-butanol performed similarly with respect to bio-oil composition; however, methanol gave much lower bio-oil yield. Solvent consumption increases with reaction temperature for all alcohols and from 10 wt% at 300°C to 35 wt% at 400°C when using ethanol. The mechanism for solvent consumption was found mainly to take place through three different reactions: Direct decomposition to gas through decarbonylation, formation of light condensation products and incorporation of the alcohol into the bio-oil through covalent bonding. Incorporation of the alchohol into the depolymerised oil product by covalent bonding may be a desirable effect which contributes to increased oil yield, inhibition of repolymerisation, reduced oxygen content and elimination of acidity

    更新日期:2017-09-19
  • Efficient and stable cycling of lithium metal enabled by a conductive carbon primer layer
    Sustainable Energy Fuels Pub Date : 2017-09-18
    Sheng S. Zhang, Xiulin Fan, Chunsheng Wang

    Two requirements must be met for efficient and stable cycling of Li metal: (1) intimate and uniform nucleation of Li metal on the electrode substrate for constant current distribution throughout the electrode surface, and (2) chemical and electrochemical stability of electrolyte components for high coulombic efficiency. With focus on the electrode substrate, in this work we coat a very thin and highly conductive carbon layer as the Li plating primer onto the surface of an existing Cu substrate. It is shown that the carbon primer layer greatly increases coulombic efficiency and cycling stability of Li metal. Microstructural characterization and ac-impedance analysis reveal that the improvement is due to the preferential nucleation of Li metal on the surface of carbon granules, which results in low contact resistance between the plated Li and the electrode substrate. Results of this work indicate that applying a conductive carbon primer layer provides a simple and cost-effective approach for the efficient and stable cycling of Li metal.

    更新日期:2017-09-19
  • Cu(II) and Zn(II) based Phthalocyanine as Hole selective layers for Perovskite Solar Cells
    Sustainable Energy Fuels Pub Date : 2017-09-15
    Laura Calio, Jorge Follana Berna, Samrana Kazim, Morten Madsen, Horst-Gunter Rubahn, Angela Sastre-Santos, Shahzada Ahmad

    Recently, significant progresses have been achieved in the fabrication of highly efficient perovskite solar cells, while major challenges, such as commercial viablity of exoctic materials and their instability, remain as an obstacle. Hole transporting materials (HTMs) represent a tricky choice for the fabrication of efficient solar cells and the cost uneffective Spiro-OMeTAD continue to be so far the most obvious candidate. Organometalic complexes, such as phthalocyanine metal complexes appeared as a promising class of p-type material, since they are less expensive and more stable. Herein, we report the synthesis of a novel Cu(II)-based phthalocyanine ((tOctPhO)8CuPc 1) with 4-tert-octylphenol-substituted function groups that possesses a very good solubility in a wide range of organic solvents, and thus can be applied from solution processing in a wide range of electro-optical devices. In the present work (tOctPhO)8CuPc 1, and its Zn(II) analogoes phthalocyanine (represented as (tOctPhO)8ZnPc 2) were tested in mixed perovskites (FAPbBr3)0.85(MAPbI3)0.15 for the fabrication of perovskite solar cell. These phthalocyanine based HTMs gave competetive power conversion efficiencies and demonstrated superior stability when compared to classical HTMs.

    更新日期:2017-09-15
  • Pentaerythritol Based push-pull tetramers for organic photovoltaics
    Sustainable Energy Fuels Pub Date : 2017-09-13
    Antoine Labrunie, Pierre Josse, Sylvie Dabos, Philippe Blanchard, Clement Cabanetos

    The synthesis and characterization of two tetramers based on the functionalization of a central pentaerythritol s–linker with push-pull chromophores is reported herein. Prepared in only few steps, these original molecules exhibit interesting optical and electrochemical properties. Moreover, once evaluated as donor materials, promising power conversion efficiencies of 4.5% were reached when blended with the [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) in bulk heterojunction solar cells.

    更新日期:2017-09-13
  • Formation of an external char layer during subcritical water hydrolysis of biomass
    Sustainable Energy Fuels Pub Date : 2017-09-05
    Zijian Ma, Patricia Guerra, Maksim Tyufekchiev, Azadeh Zaker, Geoffrey A. Tompsett, P. C. Torres Mayanga, Tânia Forster-Carneiro, Peng Wang, Michael T. Timko
    更新日期:2017-09-13
  • Two-dimensional nanomaterials for photocatalytic CO2 reduction to solar fuels
    Sustainable Energy Fuels Pub Date : 2017-08-18
    Yong Chen, Gan Jia, Yingfei Hu, Guozheng Fan, Yuen Hong Tsang, Zhaosheng Li, Zhigang Zou
    更新日期:2017-09-11
  • High-voltage aqueous supercapacitors based on NaTFSI
    Sustainable Energy Fuels Pub Date : 2017-09-11
    David Reber, Ruben-Simon Kühnel, Corsin Battaglia

    Ultra-high salt concentration has recently been reported to extend the kinetic stability of aqueous electrolytes up to 3 V. However, the low ionic conductivity of these systems makes them unsuitable for high power devices such as supercapacitors. In this study, an 8 mol kg-1 NaTFSI aqueous electrolyte is reported that displays high stability of 1.8 V on activated carbon during a stringent stability test and conductivity of 48 mS cm-1 at 20 °C, the latter being comparable to the one of state-of-the-art acetonitrile-based non-aqueous electrolytes. A 1.8 V carbon/carbon supercapacitor employing 8 mol kg-1 NaTFSI displays a high maximum energy density of 14.4 Wh kg-1 on the activated carbon mass level and stable cycling for 100,000 cycles. By addition of the redox additive potassium iodide to the electrolyte, the maximum specific energy could be increased to an extremely high value of 37.8 Wh kg-1, comparable to the performance of the current generation of commercial non-aqueous supercapacitors.

    更新日期:2017-09-11
  • Rational in situ tuning of a supramolecular photocatalyst for hydrogen evolution
    Sustainable Energy Fuels Pub Date : 2017-09-11
    Simon Kaufhold, Dimitri Imanbaew, Christoph Riehn, Sven Rau

    A new heterodinuclear ruthenium platinum complex containing an N-heterocyclic carbene bridging ligand was synthesised and used for photocatalytic hydrogen evolution. The molecular integrity of the unit was proven by mercury poisoning and the lability of terminal halido ligands veryfied with ESI-MS. In situ ligand exchange enhances catalytic performance leading to an almost 500-fold increase in turnover frequency and a significantly improved overall turnover number.

    更新日期:2017-09-11
  • Multidimensional performance optimization of conducting polymer-based supercapacitor electrodes
    Sustainable Energy Fuels Pub Date : 2017-09-11
    Kara D. Fong, Tiesheng Wang, Stoyan K. Smoukov
    更新日期:2017-09-11
  • Multi-shell tin phosphide nanospheres as high performance anode material for a sodium ion battery
    Sustainable Energy Fuels Pub Date : 2017-09-01
    Sheng Huang, Chao Meng, Min Xiao, Shan Ren, Shuanjin Wang, Dongmei Han, Yuning Li, Yuezhong Meng
    更新日期:2017-09-11
  • Cd-reduced Hybrid Buffer Layer of CdS/Zn(O,S) for Environment-friendly CIGS Solar Cell
    Sustainable Energy Fuels Pub Date : 2017-09-08
    Tanka R. Rana, SeongYeon Kim, JunHo Kim, Kihwan Kim, Jae Ho Yun

    For fabrication of high efficiency Cu(In,Ga)Se2 (CIGS) solar cell, CdS thin film is usually used as buffer layer. However, since Cd is toxic and also hazard material for environment, Cd-free or Cd-reduced buffer is required for realization of CIGS solar cell as an environment-friendly device. We fabricated Cd-reduced hybrid buffer layer of CdS(Cd-treatment)/Zn(O,S), where CdS was made by dipping into CdS CBD solution for 2 min and Zn(O,S) was deposited by co-sputtering of ZnO and ZnS. The hybrid buffer provided improved short circuit current and open circuit voltage and resultantly high power conversion efficiency. The best CIGS solar cell with the hybrid buffer showed 12.69 % cell efficiency compared to the CdS-buffered standard cell with 13.06 %. The improved efficiency for Cd-treated solar cell was found to be consequence of enhanced response to blue wave length photon and surface passivation of absorber surface by the treatment.

    更新日期:2017-09-08
  • Mo-doped BiVO4 thin films – high photoelectrochemical water splitting performance achieved by a tailored structure and morphology
    Sustainable Energy Fuels Pub Date : 2017-09-07
    Martin Rohloff, Björn Anke, Siyuan Zhang, Ulrich Gernert, Christina Scheu, Martin Lerch, Anna Fischer
    更新日期:2017-09-07
  • Molybdenum diboride nanoparticles as highly efficient electrocatalyst for the hydrogen evolution reaction
    Sustainable Energy Fuels Pub Date : 2017-09-07
    Palaini R Jothi, Yumei Zhang, Jan P Scheifers, Hyounmyung Park, B. P. T. Fokwa

    Non-noble metal nanomaterials (molybdenum sulfides, phosphides, carbides, and nitrides) have recently emerged as highly active electrocatalysts for the hydrogen evolution reaction (HER). Molybdenum borides in contrary have not been studied for their HER activity at the nanoscale, however, they were recently shown to be already efficient HER catalysts in the bulk (microscale). In this study, we report on the first nanocrystalline molybdenum boride (MoB2) synthesized by a simple, one-step, relatively low temperature (650 °C) and environmentally benign redox-assisted solid state metathesis (SSM) reaction. The obtained MoB2 nanospheres exhibit a low onset overpotential of 154 mV at 10 mA/cm2, a Tafel slope of 49 mV/dec and high stability. Furthermore, density functional theory (DFT) calculations show that several surfaces are active and that the optimum evolution of H2 occurs at a hydrogen coverage between 75% and 100% on the B-terminated {001} surface. These experimental and theoretical results open new avenues to design new architectures of inexpensive and highly efficient boron-based HER catalysts, such as boride nanospheres (with maximum active sites) or materials with B-terminated surfaces (e.g. {001} nanosheets of AlB2-type borides or even the recently discovered borophene and related 2D compounds).

    更新日期:2017-09-07
  • Thermal optimisation of metal hydride reactors for thermal energy storage applications
    Sustainable Energy Fuels Pub Date : 2017-08-31
    D. Dong, T. D. Humphries, D. A. Sheppard, B. Stansby, M. Paskevicius, M. V. Sofianos, A.-L. Chaudhary, M. Dornheim, C. E. Buckley
    更新日期:2017-09-07
  • High efficiency quasi 2D lead bromide perovskite solar cells using various barrier molecules
    Sustainable Energy Fuels Pub Date : 2017-08-10
    Bat-El Cohen, Malgorzata Wierzbowska, Lioz Etgar
    更新日期:2017-09-07
  • Integrated catalytic sequences for catalytic upgrading of bio-derived carboxylic acids to fuels, lubricants and chemical feedstocks
    Sustainable Energy Fuels Pub Date : 2017-08-30
    Sankaranarayanapillai Shylesh, Amit A. Gokhale, Keyang Sun, Adam M. Grippo, Deepak Jadhav, Alice Yeh, Christopher R. Ho, Alexis T. Bell
    更新日期:2017-09-06
  • Polyazomethines and their acid–base interactions with Nafion and Nafion–imidazole membranes for efficient fuel cells
    Sustainable Energy Fuels Pub Date : 2017-08-22
    Marek Malinowski, Agnieszka Iwan, Igor Tazbir, Bartosz Boharewicz, Andrzej Sikora, Andrzej Stafiniak
    更新日期:2017-09-06
  • 3D hierarchical MnO2 microspheres: a prospective material for high performance supercapacitors and lithium-ion batteries
    Sustainable Energy Fuels Pub Date : 2017-08-21
    Syed Khalid, Chuanbao Cao, Muhammad Naveed, Waqar Younas
    更新日期:2017-09-06
  • Formation of an external char layer during subcritical water hydrolysis of biomass
    Sustainable Energy Fuels Pub Date : 2017-09-05
    Zijian Ma, Patricia Guerra, Maksim Tyufekchiev, Azadeh Zaker, Geoffrey A Tompsett, Paulo Cesar Torres Mayanga, Tânia Forster-Carneiro, Peng Wang, Michael T. Timko

    Flow-through subcritical water hydrolysis (FT-SWH) consists of flowing hot liquid water over a fixed bed packed with biomass particles to produce fermentable carbohydrates and other valuable small molecules. In this work, we studied FT-SWH of green coffee powder as a model lignocellulosic feed, investigating temperatures in the range from 150 to 250 °C and 22.5 MPa. Batch SWH was performed as a basis of comparison for the FT-SWH tests. The focus of the study was characterization of the treated solids; specifically, bulk (primarily thermogravimetric analysis, TGA) and surface (both attenuated total reflectance infrared Fourier transform spectroscopy, ATR-FTIR, and Raman microscopy) were used to investigate the hemicellulose, cellulose, and lignin content of the solids. Bulk analysis indicated that the solids treated under FT-SWH conditions retained substantial holocellulose content, even when treated under the most aggresisve FT-SWH conditions stuided here (250 °C). On the other hand, surface analysis indicated that the treated materials were primarily composed of char, with the surface content of bound carboxylic acids also increasing with increasing hydrolysis temperature. To understand the apparent discrepancy between bulk and surface analysis, the cross sections of the treated samples were analyzed using both FTIR and Raman microscopy. These techniques confirmed that the surface consisted of a char material, whereas the particle interior was primarily holocellulose. Formation of the external char layer seems to prevent hydrolysis of the internal holocellulose, limiting sugar yields. In comparison with FT-SWH, batch SWH at a similar severity factor resulted in reduced sugar yields, decreased the onset temperature for formation of detectable char quantities, and increased char formation. Comparison with batch conditions suggest that flow conditions reduce external char formation but do not prevent it. This study explains the benefits of FT-SWH and inform development and refinement of pretreatment technologies that can reduce char formation rates.

    更新日期:2017-09-05
  • Emerging microalgae technology: a review
    Sustainable Energy Fuels Pub Date : 2017-07-27
    S. C. Pierobon, X. Cheng, P. J. Graham, B. Nguyen, E. G. Karakolis, D. Sinton
    更新日期:2017-09-05
  • A broad parameter range for selective methane production with bicarbonate solution in electrochemical CO2 reduction
    Sustainable Energy Fuels Pub Date : 2017-08-17
    Hiroshi Hashiba, Hiroki K. Sato, Satoshi Yotsuhashi, Katsushi Fujii, Masakazu Sugiyama, Yoshiaki Nakano
    更新日期:2017-09-04
  • Multi-shell Tin Phosphide Nanospheres as High Performance Anode Material of Sodium Ion Battery
    Sustainable Energy Fuels Pub Date : 2017-09-01
    Sheng Huang, Chao Meng, Min Xiao, Shan Ren, Shuanjin Wang, Dongmei Han, Yuning Li, Yuezhong Meng

    Tin phosphide (Sn4P3) combining with good conductivity of tin (Sn) and high capacity of phosphorous (P) has been reported to be the potential anode material of sodium ion battery (SIB). However, the preparation of Sn4P3 is limited to ball-milling and composited with carbon materials. The novel and detailed structure of Sn4P3 itself is little disclosed so far. In this work, we report the multi-shell Sn4P3 nano-structure by a facile and general low-temperature solvothemal method for the first time. The multi-shell structure with larger specific surface area and interlayer space endow this new anode material with short cut pathway for sodium ion diffusion and buffer space for volume expansion during sodiation, thus avoiding the electrode pulverization and improving the cycling performance of SIB. The as-prepared multi-shell Sn4P3 delivers an excellent specific capacity of 770 mAh/g with capacity retention of 96% after 50 cycles at the current densities of 50 mA/g, demonstrating the superiority of structure optimization in sodium ion battery anode preparation.

    更新日期:2017-09-04
  • Flexible and rechargeable Zn–air batteries based on green feedstocks with 75% round-trip efficiency
    Sustainable Energy Fuels Pub Date : 2017-08-15
    Chao Lin, Sambhaji S. Shinde, Yong Wang, Yu Sun, Si Chen, Haojie Zhang, Xiaopeng Li, Jung-Ho Lee
    更新日期:2017-09-04
  • Thermal optimisation of metal hydride reactors for thermal energy storage applications
    Sustainable Energy Fuels Pub Date : 2017-08-31
    Dehua Dong, Terry D Humphries, Drew A Sheppard, Bruce Stansby, Mark Paskevicius, Veronica Sofianos, Anna-Lisa Chaudhary, Martin Dornheim, Craig Buckley

    Metal hydrides (MHs) are promising candidates as thermal energy storage (TES) materials for concentrated solar thermal applications. A key requirement for this technology is a high temperature heat transfer fluid (HTF) that can deliver heat to the MHs for storage during the day, and remove heat at night time to produce electricity. In this study, supercritical water was used as a HTF to heat a prototype thermochemical heat storage reactor filled with MgH2 powder during H2 sorption, rather than electrical heating of the MH reactor. This is beneficial as the HTF flows through a coil of tubing embedded within the MH bed and is hence in direct contact with the MgH2 powder. This internal heating mode produces a more uniform temperature distribution within the reactor by increasing the heat exchange surface area and reducing the characteristic heat exchange distances. Moreover, supercritical water can be implemented as a heat carrier for the entire thermal energy system within a concentrating solar thermal plant, from the receiver, through the heat storage system, and also within conventional turbine-driven electric power generation system. Thus, the total system energy efficiency can be improved by minimising HTF heat exchangers.

    更新日期:2017-08-31
  • An Integrated Catalytic Sequence for Catalytic Upgrading of Bio-derived Carboxylic Acids to Fuels, Lubricants and Chemical Feedstocks
    Sustainable Energy Fuels Pub Date : 2017-08-30
    Sankaranaryanapillai Shylesh, Amit Gokhale, Keyang Sum, Adam Grippo, Deepak Jadhav, Alice Yeh, Christopher Ho, Alexis T. Bell

    In the late 1850s, Charles Friedel’s dry distillation of calcium acetate gave the world a novel route to the commercial production of acetone, a process that would later be referred to as decarboxylative dehydration (ketonization). While the subsequent development of the petrochemical industry made this route to acetone uncompetitive, today there is considerable interest in ketonization as means for converting biomass-derived fatty acids to produce longer-chained ketones, which could serve as precursors to fuels and lubricants. However, the lack of strategies beyond direct hydrogenation of the ketones into hydrocarbons has limited the practical application of ketonization for producing biofuels. We describe here an integrated strategy for converting a range of biomass-derived carboxylic acids, sourced through fermentation of sugars, hydrolysis of lipids, or biomass pyrolysis, to compounds that are fully compatible with the existing energy infrastructure and require minimal hydrogen input.

    更新日期:2017-08-30
  • Performance Evaluation of Gasoline Alternatives Using a Thermodynamic Spark-Ignition Engine Model
    Sustainable Energy Fuels Pub Date : 2017-08-29
    Dominic Gschwend, Patrik Soltic, Philip Edinger, Alexander Wokaun, Frédéric Vogel

    In light of the climate change and the fact that surface transportation heavily relies on internal combustion engines, many different alternatives to gasoline have been proposed. Herein, we present a model which allows a quick assessment of the suitability of a certain molecule as replacement for gasoline. Using a global sensitivity analysis, the elemental composition and the vapor heat capacity have been identified as main influencing fuel parameters. A case study using the currently proposed alternative fuels (methanol, ethanol, n-butanol, imethylfuran, methylfuran, α-pinene) as well as gasoline and several ydrocarbons (cyclohexane, n-heptane, isooctane, benzene) revealed n-butanol as best performing alternative fuel. The use of this compound entails a significant decrease in CO2 emissions and an increased efficiency, but also a higher consumption in comparison with gasoline.

    更新日期:2017-08-29
  • Designing transition metal and nitrogen- codoped SrTiO3 (001) perovskite surfaces as efficient photocatalysts for water splitting
    Sustainable Energy Fuels Pub Date : 2017-08-29
    Yang Yang, Weijie Zheng, Daojian Cheng, Dapeng Cao

    Development of an efficient photocatalyst with both strong visible light absorption and high charge mobility is highly desirable but still remains a great challenge. In this work, we use density functional theory (DFT) calculations to investigate the electronic structure and the surface activity of the M-doped (M = transition metals V, Cr, Mn, Zr, Nb and Mo) and M-N-codoped (N = Nitrogen) SrTiO3(001) perovskite surfaces in order to obtain the optimal photocatalytic material with both strong visible light absorption and high charge mobility. Results indicate that the N-Nb codoped SrTiO3(001) surfaces possesses not only suitable band gap of 1.90 eV, but also desirable strong visible light absorption and high charge mobility. In addition, by exploring adsorption and decomposition behavior of water on these modified surfaces, we found that N-Nb codoped SrTiO3(001) surface not only has the band alignments well positioned for the feasibility of photooxidation and photo-reduction of water, but also significantly reduces the activation energy of water decomposition reaction. Therefore, the N-Nb codoped SrTiO3 (001) surface designed here is very promising candidate for water splitting in the visible light region, which provides a theoretical basis for designing new photocatalytic materials.

    更新日期:2017-08-29
  • The mechanism of transmethylation in anisole decomposition over Brønsted acid sites: density functional theory (DFT) study
    Sustainable Energy Fuels Pub Date : 2017-08-15
    Jiajun Zhang, Beatriz Fidalgo, Athanasios Kolios, Dekui Shen, Sai Gu
    更新日期:2017-08-29
  • Three-dimensional annealed WO3 nanowire/graphene foam as an electrocatalytic material for all vanadium redox flow batteries
    Sustainable Energy Fuels Pub Date : 2017-08-14
    Daniel Manaye Kabtamu, Yu-Chung Chang, Guan-Yi Lin, Anteneh Wodaje Bayeh, Jian-Yu Chen, Tadele Hunde Wondimu, Chen-Hao Wang
    更新日期:2017-08-29
  • Using earth abundant materials for the catalytic evolution of hydrogen from electron-coupled proton buffers
    Sustainable Energy Fuels Pub Date : 2017-08-16
    Lewis MacDonald, Jessica C. McGlynn, Nicola Irvine, Ihfaf Alshibane, Leanne G. Bloor, Benjamin Rausch, Justin S. J. Hargreaves, Leroy Cronin
    更新日期:2017-08-24
  • Enhanced cyclability using a polyindole modified cathode material for lithium sulphur batteries
    Sustainable Energy Fuels Pub Date : 2017-08-07
    Reshma Chulliyote, Haritha Hareendrakrishnakumar, Murugan Raja, Joseph Mary Gladis, Arul Manuel Stephan
    更新日期:2017-08-23
  • Polyazomethines and their acid-base interactions with Nafion and Nafion-imidazole membranes for efficient fuel cells
    Sustainable Energy Fuels Pub Date : 2017-08-22
    Marek Malinowski, Agnieszka Iwan, Igor Tazbir, Bartosz Boharewicz, Andrzej Sikora, Andrzej Stafiniak

    We propose for the first time an aromatic polyazomethines applied in polymer electrolyte membrane fuel cells (PEMFC) as tetrafluoroethylene-perfluoro-3,6-dioxa-4-methyl-7-octene-sulfonic acid copolymer (PFSA) membrane modifiers. Two types of polyazomethines were selected to impregnate pristine PFSA membranes, the one with bibenzimidazole groups (25Bo-BABPI) and the second with thiophene rings (2252Th-DMB). In addition, these composite membranes were doped using imidazole (Im) to increase the proton conductivity. The success of impregnation process of all modified membranes has been confirmed based on FTIR spectroscopy. Obtained PFSA composite membranes were thermally stable (TGA, DTG results) and revealed lower dependency on water as an advantage, according to water sorption analysis performed. The particular membranes were activated in boiling deionized water and then in 3.75 % H2O2, and finally in boiling 0.2M H2SO4. Moreover, both polyazomethines were oxidized with FeCl3 to check their chemical oxidation abilities. Single PEMFCs assembled using polyazomethine composite membranes are characterized by improved performance as well as double increase of maximum power density, higher proton conductivity and larger electrochemical surface area of catalyst in comparison to reference samples. The maximum power density of 231 mW/cm2 at the current density of 637 mA/cm2 was detected for PFSA-25Bo-BABPI membrane. In accordance with experiments carried out, polyazomethines have positive influence on PEMFC overall electrochemical properties. All membranes were tested by atomic force microscopy (AFM) and scanning electron microscopy (SEM) with EDX to analyzed their morphology properties.

    更新日期:2017-08-23
  • A nitrogen rich polymer as an organo-catalyst for cycloaddition of CO2 to epoxides and its application for the synthesis of polyurethane
    Sustainable Energy Fuels Pub Date : 2017-08-15
    Shailesh Verma, Gaurav Kumar, Amamudin Ansari, Rukhsana I. Kureshy, Noor-ul H. Khan
    更新日期:2017-08-23
  • Environmentally friendly nitrogen-doped carbon quantum dots for next generation solar cells
    Sustainable Energy Fuels Pub Date : 2017-08-09
    Darragh Carolan, Conor Rocks, Dilli Babu Padmanaban, Paul Maguire, Vladimir Svrcek, Davide Mariotti
    更新日期:2017-08-23
  • 更新日期:2017-08-23
  • Band engineered p-type RGO–CdS–PANI ternary nanocomposites for thermoelectric applications
    Sustainable Energy Fuels Pub Date : 2017-08-07
    Priyesh V. More, Chaitanya Hiragond, Abhijit Dey, Pawan K. Khanna
    更新日期:2017-08-23
  • Facile synthesis of water soluble reduced graphene oxide with a high concentration and its application in printable micro-supercapacitors
    Sustainable Energy Fuels Pub Date : 2017-07-18
    Haibo Su, Pengli Zhu, Leicong Zhang, Fengrui Zhou, Xianwen liang, Tingxi Li, Qing Wang, Rong Sun, Chingping Wong
    更新日期:2017-08-23
  • Carbide-derived carbon beads with tunable nanopores from continuously produced polysilsesquioxanes for supercapacitor electrodes
    Sustainable Energy Fuels Pub Date : 2017-07-17
    Benjamin Krüner, Christina Odenwald, Aura Tolosa, Anna Schreiber, Mesut Aslan, Guido Kickelbick, Volker Presser
    更新日期:2017-08-23
  • 3-D vertically aligned few layer graphene – partially reduced graphene oxide/sulfur electrodes for high performance lithium–sulfur batteries
    Sustainable Energy Fuels Pub Date : 2017-07-13
    D. P. Singh, N. Soin, S. Sharma, S. Basak, S. Sachdeva, S. S. Roy, H. W. Zanderbergen, J. A. McLaughlin, M. Huijben, M. Wagemaker
    更新日期:2017-08-23
  • Laccase–natural mediator systems for “green” synthesis of phenolic monomers from alkali lignin
    Sustainable Energy Fuels Pub Date : 2017-07-10
    Bin Yao, Praveen Kolla, Ranjit Koodali, Selvaratn Balaranjan, Sunav Shrestha, Alevtina Smirnova
    更新日期:2017-08-23
  • 更新日期:2017-08-23
  • Investigating extracellular electron transfer of Rikenella microfusus: a recurring bacterium in mixed-species biofilms
    Sustainable Energy Fuels Pub Date : 2017-06-29
    M. Grattieri, K. Hasan, R. D. Milton, S. Abdellaoui, M. Suvira, B. Alkotaini, S. D. Minteer
    更新日期:2017-08-23
  • Direct synthesis of a carbon nanotube interpenetrated doped porous carbon alloy as a durable Pt-free electrocatalyst for the oxygen reduction reaction in an alkaline medium
    Sustainable Energy Fuels Pub Date : 2017-06-21
    Sreekuttan M. Unni, Gopinathan M. Anilkumar, Masashi Matsumoto, Takanori Tamaki, Hideto Imai, Takeo Yamaguchi
    更新日期:2017-08-23
  • Optimization of a compact layer of TiO2via atomic-layer deposition for high-performance perovskite solar cells
    Sustainable Energy Fuels Pub Date : 2017-06-20
    Ahmed Esmail Shalan, Sudhakar Narra, Tomoya Oshikiri, Kosei Ueno, Xu Shi, Hui-Ping Wu, Mahmoud M. Elshanawany, Eric Wei-Guang Diau, Hiroaki Misawa
    更新日期:2017-08-23
  • Rapid synthesis of self-supported three-dimensional bubble-like graphene frameworks as high-performance electrodes for supercapacitors
    Sustainable Energy Fuels Pub Date : 2017-06-16
    Haiyan Duan, Tingting Yan, Zhenying Li, Guorong Chen, Jianping Zhang, Liyi Shi, Dengsong Zhang
    更新日期:2017-08-23
  • Thermal charging of supercapacitors: a perspective
    Sustainable Energy Fuels Pub Date : 2017-06-12
    Ayar Al-zubaidi, Xixi Ji, Jie Yu
    更新日期:2017-08-23
  • H2/O2 enzymatic fuel cells: from proof-of-concept to powerful devices
    Sustainable Energy Fuels Pub Date : 2017-06-09
    I. Mazurenko, X. Wang, A. de Poulpiquet, E. Lojou
    更新日期:2017-08-23
  • 更新日期:2017-08-23
  • 3D hierarchical MnO2 microspheres: a prospective material for high performance supercapacitor and lithium-ion batteries
    Sustainable Energy Fuels Pub Date : 2017-08-21
    Syed Khalid, Chuanbao Cao, Muhammad Naveed, Waqar Younas

    3D hierarchical MnO2 microspheres with ultrathin nanosheets structure and high specific surface area (184.32 m2 g-1) are synthesized by rapid microwave heating method in just 10 minutes. In this work ionic electrlolyte (EMIMBF4/DMF) based asymmetric supercapacitor device is successfuly prepared by using 3D hierarchical MnO2 microspheres as cathode and active carbon as anode materials. The (EMIMBF4/DMF) electrolyte enables significant enhancement in the potential windows of individual electrode materials and asymmetric device which results in much improved electrochemical performance. Asymmetric device operates successfully within a potential window of 3.0 V and exhibits outstanding energy density of 105 Wh kg-1 at a power density of 1494 W kg-1 with good cycling life stability (20 % loss after 6000 cycles) at much higher current density 6 A g-1. Moreover 3D hierarchical MnO2 microspheres also exhibit an outsatnding Li ion storage performance with the discharge capacity of 715 mAh g-1 even after 200 cycles at a current density of 300 mA g-1. The discharge capacity retention (78 % @ 2nd cycle) after 200 cycles at 300 mA g-1 is the highest amongst all the reported anode materials based on MnO2. High specific capacities and outstanding cyclability further indicates its strong potential as an anode of lithium-ion battery. The promising energy storage applications can be ascribed to high specific surface area, mesoporous structure and ultrathin nanosheets building blocks of MnO2 microspheres.

    更新日期:2017-08-22
  • Two-dimensional Nanomaterials for Photocatalytic CO2 Reduction to Solar Fuels
    Sustainable Energy Fuels Pub Date : 2017-08-18
    Yong Chen, Gan Jia, Yingfei Hu, Guozheng Fan, Yuen Hong Tsang, Zhaosheng Li, Zhigang Zou

    As a “kill two birds with one stone” approach, photocatalytic CO2 reduction to solar fuels can save supplying energy and simultaneously protect our environment. Specifically, the use of CO2 as the starting carbon source can help with the required emission cuts. Meanwhile, it directly generates short-chain hydrocarbon products such as CH4, CH3OH, C2H6 and so on, which can serve as a renewable energy source (solar fuels) to alleviate increasingly tense energy crisis. Two-dimensional (2D) nanomaterials possess several extraordinary advantages, including large surface-to-volume ratio, abundant active sites, atomic thickness, high fraction of coordinated unsaturated surface sites, endowing them with promising candidates for high photocatalytic activity of CO2 reduction. This review summarizes a series of typical 2D nanomaterials for photocatalytic CO2 conversion, such as graphene-based photocatalysts, graphitic carbon nitride-based photocatalysts, 2D metal oxide-based photocatalysts, 2D metal halcogenide-based photocatalysts, 2D metal oxyhalide-based photocatalysts, and layered double hydroxides-based photocatalysts. Furthermore, based on the characteristics of 2D materials and the current status of research on photocatalytic CO2 reduction, the challenges and opportunities of 2D materials as prospective photocatalyst for CO2 reduction will also be discussed.

    更新日期:2017-08-18
  • Broad parameter range of selective methane production with bicarbonate solution in electrochemical CO2 reduction
    Sustainable Energy Fuels Pub Date : 2017-08-17
    Hiroshi Hashiba, Hiroki K. Sato, Satoshi Yotsuhashi, Katsushi Fujii, Masakazu Sugiyama, Yoshiaki Nakano

    This study demonstrated the previously unrecognised capability of potassium bicarbonate (KHCO3) aqueous solutions to assist in the selective generation of methane (CH4) over a wide range of reaction parameters during electrochemical CO2 reduction over a bulk polycrystalline Cu catalyst. Compared with the results obtained with potassium chloride (KCl) electrolytes, a 0.5 M KHCO3 solution maintained a higher Faradaic efficiency (FE) for CH4 production at higher current densities. This trend was further emphasised upon increasing the CO2 pressure from near-ambient to 3 atm and incorporating stirring. The result was a FE above 50% over a range of current densities from 90 to more than 330 mA cm−2. The maximum FE reached 80% at 0 °C, while maintaining a broad peak structure when plotted against current density, even over 300 mA cm−2. The buffering ability of KHCO3 appears to play an important role in increasing both the reaction rate and selectivity for CH4, especially when combined with an optimised CO2 supply to the electrode and an ideal reaction temperature.

    更新日期:2017-08-17
  • Using Earth Abundant Materials for the Catalytic Evolution of Hydrogen from Electron-Coupled Proton Buffers
    Sustainable Energy Fuels Pub Date : 2017-08-16
    Lee Cronin, Lewis Macdonald, Jessica C. McGlynn, Nicola Irvine, Ihfaf Alshibane, Leanne Bloor, Benjamin Rausch, Justin Hargreaves

    Hydrogen has a large array of uses throughout the chemical and energy industries, yet is largely produced through the reformation of fossil fuels. Renewable production of hydrogen, via electrolytic water splitting, could be key to moving beyond fossil fuel reliance, but research has mainly focused on maximising efficiency to increasing the performance of the electrolysis process. Access to cheap, renewable earth abundant materials to produce hydrogen could be argued to be of equal importance. Electron-coupled proton buffers (ECPBs) have been shown to separate the oxygen and hydrogen evolution reactions of water electrolysis (OER and HER) in space and time, but have previously relied on precious metal catalysts to produce H2. Herein, we report the use of four earth abundant catalysts capabale of spontaneously evolving hydrogen from reduced ECPBs. The hydrogen production rate was found to be influenced by both the onset potential of the HER for a particular catalyst, and the redox potential of the ECPB used. The catalysts were shown to evolve hydrogen at rates up to 9.4 mmol H2 hr-1 mg-1 catalyst and up to 60% of the theoretical maximium hydrogen capacity of the ECPBs.

    更新日期:2017-08-16
  • Mechanism of transmethylation in anisole decomposition over Brønsted acid sites: Density Functional Theory (DFT) study
    Sustainable Energy Fuels Pub Date : 2017-08-15
    Jiajun Zhang, Beatriz Fidalgo, Athanasios Kolios, Dekui Shen, Sai Gu

    In this work, the mechanism and intrinsic reaction energy barriers of transmethylation, as the initial stage of the catalytic and non-catalytic anisole decomposition, were investigated by Density Functional Theory (DFT). Molecule analyses indicated that methyl free radical transfer happened in the absence of catalyst, and the catalytic transmethylation over Brønsted acid sites was considered based on the dual electrophilic attack mechanism with protonation and carbocation substitution respectively. Reactions modelling for the formation of methyl-contained compounds in both non-catalytic and catalytic anisole decomposition indicated that the energy barriers were significantly decreased in the presence of catalyst by 60 kcal/mol at the most in the case of o-cresol. The results also revealed that the intrinsic transmethylation orientation preferred the ortho- and para-positions on the acceptor compounds contained oxygen-rich substituents due to its large electronegativity, and the lowest energy barrier was observed in the case of transmethylation towards the para-position of the cresol molecule (54.1 kcal/mol).

    更新日期:2017-08-15
  • Flexible and rechargeable Zn–air batteries based on green feedstocks with a 75% round-trip efficiency
    Sustainable Energy Fuels Pub Date : 2017-08-15
    Chao Lin, S S Shinde, Yong Wang, Yu SUN, Si Chen, Haojie Zhang, Xiaopeng Li, Jung-Ho Lee

    Here, we report a flexible solid-state Zn–air battery (SZAB) that achieves a record round-trip efficiency of 75%. The major components of the SZAB are based on biomass derivatives. Glucose acts as the carbon source to construct bifunctional oxygen electrocatalyst. The methylcellulose simultaneously enhances the ionic conductivity and water retention of the gel electrolyte, endowing the SZAB with enhanced flexibility and efficiency.

    更新日期:2017-08-15
Some contents have been Reproduced with permission of the American Chemical Society.
Some contents have been Reproduced by permission of The Royal Society of Chemistry.
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