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Density functional theory calculations on fluorescence-enhanced mechanisms of the optical sensor for zinc ions, ADPA ChemPhysChem (IF 2.9) Pub Date : 2024-03-18 Quyan Su, Yuanming Li, Jia Han, Xiaoguo Zhou, Shilin Liu
N-(9-anthracenylmethyl)-N-(2-pyridinylmethyl)-2-pyridinemethanamine (ADPA) as a specific ion sensor for Zn2+ has been widely applied. Although the photo-induced electron transfer (PET) mechanism was proposed previously, its fluorescence-enhanced effect still remains somewhat ambiguous, according to unknown influences of non-radiative energy decay pathways, such as intersystem crossing and internal
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Concentration-gradient structural LiFe0.5Mn0.5PO4/C prepared via co-precipitation reaction for advanced lithium-ion batteries ChemPhysChem (IF 2.9) Pub Date : 2024-03-17 Xiaoyan Jiang, Lanyan Li, Xianyou Wang, Zhigao Luo
The intrinsically low electronic conductivity and slow ion diffusion kinetics limit further development of olivine LiFexMn1-xPO4 cathode materials. In this paper, with the aim of effectively improving the performance of such materials and alleviating the Jahn-Taller effect of Mn3+ ion, a bimetallic oxalate precursor with gradient distribution of elemental concentration followed with a efficient process
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Covalent Tethering of Cobalt Porphyrins on Phenolic Resins for Electrocatalytic Oxygen Reduction and Evolution Reactions ChemPhysChem (IF 2.9) Pub Date : 2024-03-16 Jiafan Kong, Haonan Qin, Luna Yang, Jieling Zhang, Yuxin Peng, Yimei Gao, Yizhen Wu, Wonwoo Nam, Rui Cao
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Front Cover: Polymer network comprised of steroidal rotors as promising storage material (ChemPhysChem 6/2024) ChemPhysChem (IF 2.9) Pub Date : 2024-03-16 Joanna Wysocka, Marta Malinowska, Tomasz Pawlak, Bożena Zgardzińska, Karolina H. Markiewicz, Paweł Misiak, Agnieszka Z. Wilczewska, Marek Potrzebowski, Rosa Santillan, Edwin Flórez‐López, Norberto Farfán, Izabella Jastrzebska
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Polymer Network Comprised of Steroidal Rotors as a Promising Storage Material ChemPhysChem (IF 2.9) Pub Date : 2024-03-16 Joanna Wysocka, Marta Malinowska, Tomasz Pawlak, Bożena Zgardzińska, Karolina H. Markiewicz, Paweł Misiak, Agnieszka Z. Wilczewska, Marek Potrzebowski, Rosa Santillan, Edwin Flórez‐López, Norberto Farfán, Izabella Jastrzebska
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Role of Constituent Oxides for Thermal Mineralization of o‐Dichloro Benzene over Mixed‐Oxide‐TiO2 Catalysts: A Mechanistic Explanation ChemPhysChem (IF 2.9) Pub Date : 2024-03-15 Kaustava Bhattacaharyya, Adarsh Kumar, Deepak Tyagi, A. K. Tripathi, A.K. Tyagi
Catalysts with V2O5, WO3 and V2O5‐WO3 dispersed over TiO2 were synthesized using sol‐gel technique and thoroughly characterized by various techniques. The catalysts were evaluated for degradation of ortho‐dichloro benzene (o‐DCB) in air/helium, a representative probe molecule for polychlorinated dibenzo‐para‐dioxin and polychlorinated dibenzofuran by employing in situ Fourier‐transform infrared spectroscopy
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Attenuating the Polysulfide Shuttle Mechanism by Separator Coating ChemPhysChem (IF 2.9) Pub Date : 2024-03-14 Sebastian Daniel Hirt, Martin Opitz, Herbert Kappl, Mareike Hägele, Pascal Sous, Bernd Oberschachtsiek, Seniz Sörgel, Holger Kaßner, Harry Ernst Hoster
Lithium‐sulfur batteries have a high energy density but lack cycle stability to reach market maturity. This is mainly due to the polysulfide shuttle mechanism, i.e., the leaching of active material from the cathode into the electrolyte and subsequent side reactions. We demonstrate how to attenuate the polysulfide shuttle by magnetron sputtering molybdenum oxysulfide, manganese oxide, and chromium oxide
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Sheet Models for Methylaluminoxane (MAO) Activators? A Theoretical Case Study involving rac‐Me2Si(η5‐C9H6)2Zr (SBIZr) Complexes ChemPhysChem (IF 2.9) Pub Date : 2024-03-12 Scott Collins, Mikko Linnolahti
Activation of SBIZrMe2 or SBIZrMeCl and a sheet model for an active component of hydrolytic MAO, (MeAlO)16(Me3Al)6, (16,6) has been studied by DFT. Contact ion‐pair formation occurs through the intermediacy of SBIZrMe(Cl) or SBIZrMe2 reacting with sheet 16,6 to furnish SBIZrMe‐µ‐X(MeAlO)16(Me3Al)6 (2, X = Me, Cl). Contact ion‐pairs 2 would be in equilibrium with heterodinuclear catalyst precursors
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Accurate Experimental Structure of 1‐Chloronaphthalene ChemPhysChem (IF 2.9) Pub Date : 2024-03-12 Pablo Pinacho, Pablo Gomez, Juan Carlos Lopez, Susana Blanco
The structure of isolated 1‐chloronaphthalene has been investigated in a supersonic expansion by high‐resolution chirped‐pulse Fourier transform microwave (CP‐FTMW) spectroscopy in the 2‐8 GHz frequency range. Accurate values of the rotational, centrifugal distortion, and nuclear quadrupole coupling constants for the only availabe conformer have been determined. The intensity of the spectrum allowed
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Many‐body Effects on Electronic Transport in Molecular Junctions: A Quantum Perspective ChemPhysChem (IF 2.9) Pub Date : 2024-03-12 Amrit Sarmah, Pavel Hobza, Asit K. Chandra, Sivaprasad Mitra, Takahito Nakajima
This concept delves into quantum particle transport at the nanoscale, with a particular focus on how electrons move through molecular circuits. The thriving field of single molecular electronics benefits from the unique electrical and other properties of nanostructures. It concentrates on single molecular junctions that serve as bridges between electrodes. In this context, the electronic correlation‐induced
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Quantum chemistry and pharmacy: diagnostic check of the thermochemistry of ibuprofen ChemPhysChem (IF 2.9) Pub Date : 2024-03-12 Vladimir N Emel´yanenko, Kseniya V. Zherikova, Sergey P. Verevkin
The thermodynamic data on ibuprofen available in the literature shows that the disarray of experimental results is unacceptable for this very important drug. The data on ibuprofens available in the literature were collected, combined with our complementary experimental results and evaluated. The enthalpies of combustion and formation of the crystalline RS‐(±)‐ and S‐(+)‐ibuprofens were measured using
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Multinuclear Residual Quadrupolar Couplings for Structure and Assignment ChemPhysChem (IF 2.9) Pub Date : 2024-03-11 Michael John, Franziska Rüttger
Most stable isotopes have a nuclear spin > 1/2, but the quadrupole interaction poses challenge on their detection by nuclear magnetic resonance (NMR). On the other hand, the quadrupole interaction is a rich source of structural information that may be exploited for solution NMR in the form of residual quadrupolar couplings (RQCs) of weakly oriented samples. While 2H RQCs are now well established for
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Alternating 3rd‐ to 2nd‐order charge reaction kinetics on bismuth vanadate photoanodes with ultrathin bismuth metal‐organic‐frameworks ChemPhysChem (IF 2.9) Pub Date : 2024-03-11 Guangming Cao, Yanjie Liu, Jundie Hu, Jiafu Qu, Zhichao Zhang, Xianqiang Xiong, Wei Sun, Xiaogang Yang, Chang Ming Li
The most challenging obstacle for photocatalysts to efficiently harvest solar energy is the sluggish surface redox reaction (e.g., oxygen evolution reaction, OER) kinetics, which is believed to originate from interface catalysis rather than the semiconductor photophysics. In this work, we developed a light‐modulated transient photocurrent (LMTPC) method for investigating surface charge accumulation
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Beyond Electrons: Correlation and Self‐Energy in Multicomponent Density Functional Theory ChemPhysChem (IF 2.9) Pub Date : 2024-03-08 Christof Holzer, Yannick Franzke
Post‐Kohn‐‐Sham methods are used to evaluate the ground‐state correlation energy and the orbital self‐energy of systems consisting of multiple flavors of different fermions. Starting from multicomponent density functional theory, suitable ways to arrive at the corresponding multicomponent random‐phase approximation and the multicomponent Green's function GW approximation, including relativistic effects
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Advances in naked metal clusters for catalysis ChemPhysChem (IF 2.9) Pub Date : 2024-03-07 Zhixun Luo, Aamir Shehzad
The properties of sub‐nano metal clusters are governed by quantum confinement and their large surface‐to‐bulk ratios, atomically precise compositions and geometric/electronic structures. Advances in metal clusters lead to new opportunities in diverse aspects of sciences including chemo‐sensing, bio‐imaging, photochemistry and catalysis. Naked metal clusters having synergic multiple active sites and
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Tailoring ammonia capture in MOFs and COFs: A multi‐scale and machine learning comprehensive investigation of functional group modification ChemPhysChem (IF 2.9) Pub Date : 2024-03-06 Georgios K. Stavroglou, Emmanuel Tylianakis, George E. Froudakis
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Preparation of activated biocarbons from cones and their potential application for adsorption of antibiotics (tetracycline) ChemPhysChem (IF 2.9) Pub Date : 2024-03-06 Katarzyna Jedynak, Barbara Charmas, Barbara Wawrzaszek
The pine cones (PC), spruce cones (SC) and fir cones (FC) were used for biocarbons preparation. Chemical activation with sodium hydroxide was applied to prepare activated biocarbons. All the materials under investigation were characterized by the N2 adsorption, scanning electron microscopy (SEM), elemental analysis (CHNS), infrared spectroscopy (ATR FT‐IR), and the Boehm’s titration method. Moreover
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Effect of DBD plasma treatment on activity of Mo‐based sulfur‐resistant methanation catalyst ChemPhysChem (IF 2.9) Pub Date : 2024-03-06 Hao Jiao, Baowei Wang, yingjie Zhang
By combining the advantages of dielectric barrier discharge (DBD) low temperature plasma and fluidized bed, the effect of plasma on the performance of supported Mo‐based catalyst was studied in this paper. The performance of the catalyst obtained by plasma treatment, calcined, plasma + calcined was compared, and the appropriate catalyst preparation scheme was explored. Comparing with the three catalysts
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Adsorption Capacity of Carbon-Silica Composites Towards Diclofenac in Poly(acrylic acid) Containing Systems: A Crucial Study on Common Wastewater Contaminants ChemPhysChem (IF 2.9) Pub Date : 2024-03-02 Magdalena Medykowska, Małgorzata Wiśniewska, Katarzyna Szewczuk-Karpisz, Mariia Galaburda
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Front Cover: Application of Exciton Coupling for Characterization of Nanographene Edge (ChemPhysChem 5/2024) ChemPhysChem (IF 2.9) Pub Date : 2024-03-02 Ryo Sekiya, Takeharu Haino
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Cover Feature: Through‐space scalar spin‐spin coupling: from rigid intramolecular cases to short‐lived van der Waals complexes (ChemPhysChem 5/2024) ChemPhysChem (IF 2.9) Pub Date : 2024-03-02 Giacomo Saielli
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Application of Exciton Coupling for Characterization of Nanographene Edges ChemPhysChem (IF 2.9) Pub Date : 2024-03-02 Ryo Sekiya, Takeharu Haino
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Onset of Nitriles Hydration with an Environmentally Benign Catalyst: in-Water versus on-Water Conditions ChemPhysChem (IF 2.9) Pub Date : 2024-03-01 Rodolphe Pollet, Mathilde Andronaco, Himansu S. Biswal
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Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems ChemPhysChem (IF 2.9) Pub Date : 2024-03-01 Benny Jun Chen, Ekadashi Pradhan, Marcel Nooijen, Tao Zeng
In this study, we examine the adiabat‐to‐diabat (ATD) angles for trajectories in 2‐dimensional vibrational subspace of the seam space of two degenerate states. In circulating around the tangential touching degeneracy center, the ATD angle is changed by 2π or 0, similar to the Renner‐Teller problem and the pseudo‐Jahn‐Teller problem, respectively. These ATD angle profiles may be indistinguishable from
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Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO2 ChemPhysChem (IF 2.9) Pub Date : 2024-03-01 Hori Pada Sarker, Frank Abild-Pedersen, Michal Bajdich
The polaronic effects at the atomic level hold paramount significance for advancing the efficacy of transition metal oxides in applications pertinent to renewable energy. The lattice‐distortion mediated localization of photoexcited carriers in the form of polarons plays a pivotal role in the photocatalysis. By employing Hubbard‐U corrected and hybrid density functional theory (DFT) methods, we systematically
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Thermal equation of state of cubic silicon carbide at high pressures ChemPhysChem (IF 2.9) Pub Date : 2024-03-01 Artem Chanyshev, Naira Martirosyan, Lin Wang, Amrita Chakraborti, Narangoo Purevjav, Fei Wang, Eun Jeong Kim, Hu Tang, Timofey Fedotenko, Shrikant Bhat, Robert Farla, Tomoo Katsura
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Role of the vibrational and translational energies in the CN(v) + C2H6(ν 1 , ν 2 , ν 5 and ν 9 ) reactions. A theoretical QCT study ChemPhysChem (IF 2.9) Pub Date : 2024-02-29 Joaquin Espinosa-Garcia, Cipriano Rangel, Jose C. Corchado
Quasi‐classical trajectory (QCT) calculations were conducted to analyse the influence of vibrational versus translational energy in promoting reactivity, and the impact of vibrational excitation. The investigation revealed that independent vibrational excitation of ethane’s symmetric and asymmetric stretching modes (differing by only 15 cm‑1) yielded comparable reaction cross‐sections, HCN(v) vibrational
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Self‐consistent convolutional density functional approximations: Application to adsorption at metal surfaces ChemPhysChem (IF 2.9) Pub Date : 2024-02-29 Sushree Jagriti Sahoo, Qimen Xu, Xiangyun Lei, Daniel Staros, Gopal R. Iyer, Brenda Rubenstein, Phanish Suryanarayana, Andrew Medford
The exchange‐correlation (XC) functional in density functional theory is used to approximate multi‐electron interactions. A plethora of different functionals are available, but nearly all are based on the hierarchy of inputs commonly referred to as “Jacob’s ladder.” This paper introduces an approach to construct XC functionals with inputs from convolutions of arbitrary kernels with the electron density
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Online‐Monitoring of the Enantiomeric Ratio in Microfluidic Chip Reactors Using Chiral Selector Ion Vibrational Spectroscopy ChemPhysChem (IF 2.9) Pub Date : 2024-02-29 Sonja Schmahl, Francine Horn, Jiaye Jin, Hannes Westphal, Detlev Belder, Knut R Asmis
A novel experimental approach for the rapid online monitoring of the enantiomeric ratio of chiral analytes in solution is presented. The charged analyte is transferred to the gas phase by electrospray. Diastereomeric complexes are formed with a volatile chiral selector in a buffer‐gas‐filled ion guide held at room temperature, mass‐selected, and subsequently spectrally differentiated by cryogenic ion
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Evaluation of the effect of polyethylenimine on boron adsorption by soil minerals ChemPhysChem (IF 2.9) Pub Date : 2024-02-28 Justyna Ulatowska, Katarzyna Szewczuk-Karpisz, Izabela Polowczyk
The removal of hazardous ions from water is crucial for safeguarding both the environment and human health. Soil minerals, integral components of soil, play a vital role as adsorbents for various contaminants, including heavy metal ions, organic dyes, and detergents. This study investigates the interaction between boron ions and soil minerals (gibbsite, kaolinite, and montmorillonite) in the presence
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In Situ Fabrication of SnO2 Nanowalls for Robust Acetylene Sensing at Low Temperature ChemPhysChem (IF 2.9) Pub Date : 2024-02-28 Chuantao Zhang, Lingmin Yu, Xingyu He, Chao Shi, Senlin Li, Fan Zhao, Xinhui Fan
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The importance of Spin‐Polarized Charge Reorganization in the Catalytic Activity of D‐Glucose Oxidase ChemPhysChem (IF 2.9) Pub Date : 2024-02-27 Naupada Preeyanka, Qirong Zhu, Tapan-Kumar Das, Ron Naaman
The reaction of D‐glucose oxidase (GOx) with D‐ and L‐glucose was investigated using confocal fluorescence microscopy and Hall voltage, after the enzyme was adsorbed as a monolayer. By adsorbing the enzyme on a ferromagnetic substrate, we verified that the reaction is spin dependent. This conclusion was supported by monitoring the reaction when the enzyme is adsorbed on a Hall device that does not
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Autocombustion Route Derived Zinc Ferrite Nanoparticles as Chemiresistive Sensor for Detection of Alcohol Vapors ChemPhysChem (IF 2.9) Pub Date : 2024-02-27 Bhooma Bhagat, Santosh K. Gupta, Dipankar Mandal, Rajib Badyopadhyay, Kalisadhan Mukherjee
Prolonged exposure to alcohol vapors can have detrimental effects on human health, potentially leading to eye irritation, dizziness, and in some cases, damage to the nervous system. The present article aims to provide a comprehensive understanding on the synthesis and characterization of zinc ferrite (ZnFe2O4) nanoparticles, as well as their interactions with a range of alcohol vapors, including methanol
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Theoretical investigation of the adsorbate and potential‐induced stability of Cu facets during electrochemical CO2 and CO reduction ChemPhysChem (IF 2.9) Pub Date : 2024-02-27 Henry Yu, Nitish Govindarajan, Stephen E. Weitzner, Rui Serra-Maia, Sneha A. Akhade, Joel B. Varley
The activity and product selectivity of electrocatalysts for reactions like the carbon dioxide reduction reaction (CO2RR) are intimately dependent on the catalyst’s structure and composition. While engineering catalytic surfaces can improve performance, discovering the key sets of rational design principles remains challenging due to limitations in modeling catalyst stability under operating conditions
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Identifying Exchangeable Protons in a 1D NMR Spectrum by Spatially Selective Exchange‐Editing ChemPhysChem (IF 2.9) Pub Date : 2024-02-26 Markus Rotzinger, Nathalie Schuster, Klaus Zangger
Signals undergoing chemical or conformational exchange in one‐dimensional NMR spectra are often identified by deuterium exchange. In order to obtain quantitative information about the dynamic processes involved, one frequently used method is EXchange SpectroscopY (EXSY). To detect all exchange processes, the EXSY experiment requires the acquisition of time‐consuming two‐dimensional spectra. Here we
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The Interplay of Spacer Chirality and Parity in Mesogenic Dimers ChemPhysChem (IF 2.9) Pub Date : 2024-02-26 Antonija Ožegović, Anamarija Knežević, Jurica Novak, Suzana Šegota, Patrick Davidson, Andreja Lesac
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The Hydrogen Evolution Activity of BaZrS3, BaTiS3, and BaVS3 Chalcogenide Perovskites ChemPhysChem (IF 2.9) Pub Date : 2024-02-23 Nicholas Humphrey, Alicia Tsung, Shantanu Singh, Ahamed Irshad, Boyang Zhao, Sri Narayan, Jayakanth Ravichandran, Shaama Mallikarjun Sharada
Chalcogenide perovskites are a class of materials with electronic and optoelectronic properties desirable for solar cells, infrared optics, and computing. The oxide counterparts of these chalcogenides have been studied extensively for their electrocatalytic and photoelectrochemical properties. As chalcogenide perovskites are more covalent, conductive, and stable, we hypothesize that they are more viable
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Understanding the electronic and structural effects in ORR intermediate binding on anion‐substituted zirconia surfaces ChemPhysChem (IF 2.9) Pub Date : 2024-02-23 Sukanya Sinha, Tejs Vegge, Kirsten T. Winther, Heine Anton Hansen
For oxygen reduction reaction (ORR), the surface adsorption energies of O* and OH* intermediates are key descriptors for catalytic activity. In this work, we investigate anion‐substituted zirconia catalyst surfaces and determine that adsorption energies of O* and OH* intermediates is governed by both structural and electronic effects. When the adsorption energies are not influenced by the structural
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A General Model of Impact Sensitivity for Nitrogen-Rich Energetic Materials: A Combined Incremental Theory and Genetic Function Approximation Study ChemPhysChem (IF 2.9) Pub Date : 2024-02-22 Zhixiang Zhang, Yiding Ma, Chao Chen, Sergey V. Bondarchuk, Yingzhe Liu
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Spectroscopic Characterization of Thermal Methane Activation by Lewis‐Acid‐Base Pair in a Gas‐Phase Metal Nitride Anion Ta2N3− ChemPhysChem (IF 2.9) Pub Date : 2024-02-21 Zi-Yu Li, Qing-Yu Liu, Sheng-Gui He
Activation and transformation of methane is one of the “holy grails” in catalysis. Understanding the nature of active sites and mechanistic details via spectroscopic characterization of the reactive sites and key intermediates is of great challenge but crucial for the development of novel strategies for methane transformation. Herein, by employing photoelectron velocity‐map imaging (PEVMI) spectroscopy
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Ionization Patterns and Chemical Reactivity of Cytosine-Guanine Watson-Crick Pairs ChemPhysChem (IF 2.9) Pub Date : 2024-02-21 Ismihan A. Uddin, Ewa Stec, George A. Papadantonakis
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The Norbornadiene/Quadricyclane Pair as Molecular Solar Thermal Energy Storage System: Surface Science Investigations ChemPhysChem (IF 2.9) Pub Date : 2024-02-20 Felix Hemauer, Hans-Peter Steinrück, Christian Papp
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Synchrotron radiation based X‐ray Absorption Spectroscopy: fundamentals and applications in photocatalysis ChemPhysChem (IF 2.9) Pub Date : 2024-02-20 Mengdie Cai, Song Sun, Jun Bao
Photocatalysis is one of the most promising green technologies to utilize solar energy for clean energy achievement and environmental governance. There is a knotty problem to rational designing high‐performance photocatalysts, which largely depends on an in‐depth insight into their structure‐activity relationships and complex photocatalytic reaction mechanisms. Synchrotron radiation based X‐ray absorption
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A theoretical‐computational study of phosphodiester bond cleavage kinetics as a function of the temperature ChemPhysChem (IF 2.9) Pub Date : 2024-02-19 Alessandro Nicola Nardi, Alessio Olivieri, Marco D'Abramo, Andrea Amadei
The hydrolysis of the phosphodiester bond is an important chemical reaction involved in several biological processes. Here, we study the cleavage of this bond by means of a theoretical‐computational method in a model system, the dineopentyl phosphate. By such an approach, we reconstructed the kinetics and related thermodynamics of this chemical reaction along an isochore. In particular, we evaluated
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Hexylation Stabilises Twisted Backbone Configurations in the Prototypical Low-Bandgap Copolymer PCDTBT ChemPhysChem (IF 2.9) Pub Date : 2024-02-19 Sebastian Stäter, Erik F. Woering, Florian Lombeck, Michael Sommer, Richard Hildner
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Dual Stabilization of a Tri‐Metallofullerene Radical Er3@C80: Exohedral Derivatization and Endohedral Three‐Center Bonding ChemPhysChem (IF 2.9) Pub Date : 2024-02-19 Yabei Wu, Zhonghao Zhou, Dan Xu, Yuhang Jiang, Dingyi Zhou, Zhiyong Wang
The enclosed space within fullerene molecules, capable of trapping metal clusters, offers an opportunity to investigate the behavior of metal atoms in a highly confined sub‐nanometer environment. However, the studies on tri‐metallofullerenes M3@C80 have been very limited due to their difficult obtainability. In this paper, we present a new method for obtaining a tri‐metallofullerene Er3@C80 through
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Inherent D-A Architecture in Indoloquinoxalines with an Array of Substituents for Non-Volatile Memory Device Applications ChemPhysChem (IF 2.9) Pub Date : 2024-02-19 Senthilkumar V. Swetha, Ramesh Gayathri, Murali Ardra, Predhanekar Mohamed Imran, Samuthira Nagarajan
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Hydrated Formic Acid Clusters and their Interaction with Electrons ChemPhysChem (IF 2.9) Pub Date : 2024-02-19 Kevin Li, Jozef Ďurana, Barbora Kocábková, Andrij Pysanenko, Yihui Yan, Milan Ončák, Michal Fárník, Jozef Lengyel
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Uncovering Energetic Positions of Surface Trap States in α‐Fe2O3 Treated with Cobalt Phosphate (Co‐Pi) Using Charge Carrier‐Selective Heterodyne Transient Grating Technique ChemPhysChem (IF 2.9) Pub Date : 2024-02-19 Young Hyun Kim, Yu Gyeong Bae, Woon Yong Sohn
Near‐field heterodyne transient grating (NF‐HD‐TG) responses of hematite (α‐Fe2O3) treated with cobalt phosphate (Co‐Pi) were measured with the burn lasers inducing the depletion of the response by the removal of the trapped charge carriers in the target state, which is called charge carrier‐selective heterodyne transient grating (CS‐HD‐TG) spectroscopic technique. We found that two distinct trap states
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In situ Gel Electrolytes for the Interfacial Regulation of Lithium Metal Batteries ChemPhysChem (IF 2.9) Pub Date : 2024-02-19 Zhihua Chen, Jingwei Hu, Shuaijing Ji, Weixin Zhang, Qigao Han, Shun Tang, Yuancheng Cao
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Phosphide-Based Electrocatalysts for Urea Electrolysis: Recent Trends and Progress ChemPhysChem (IF 2.9) Pub Date : 2024-02-16 Sanath Kumar, Gita B. Bhanuse, Yen-Pei Fu
Electrolysis is a trend in producing hydrogen as a fuel for renewable energy development, and urea electrolysis is considered as one of the advanced electrolysis processes, where efficient materials still need to be explored. Notably, urea electrolysis came into existence to counter-part the electrode reactions in water electrolysis, which has hydrogen evolution reaction (HER) and oxygen evolution
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Impact of Vacancy Defects on Electrochemical Nitrogen Reduction Reaction Performance of MXenes ChemPhysChem (IF 2.9) Pub Date : 2024-02-18 Hardik L. Kagdada, Ankit Jain
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Catalysis of indium ion electroreduction in the presence of acetazolamide in chlorates(VII) solutions with varied water activity ChemPhysChem (IF 2.9) Pub Date : 2024-02-16 Agnieszka Nosal-Wiercińska, Marlena Martyna, Anna Szabelska, Beata Gołębiowska
The influence of acetazolamide (ACT) on the kinetics and the mechanism of electroreduction of In(III) ions as a function of changes of the water activity was investigated using electrochemical methods (DC, SWV, CV and EIS, CV). The multi-step mechanism of the electroreduction process should take into account the dehydration step of indium ions and the presence of In - ACT (,,cap-pair” effect) active
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Hierarchical sea urchin-like Fe-doped heazlewoodite for high-efficient oxygen evolution ChemPhysChem (IF 2.9) Pub Date : 2024-02-15 Shang Kun, Guo Junpo, Ma Yingjun, Hangning Liu, Zhang Xiaoling, Wang Huizhen, Jie Wang, Zhenhua Yan
Electrochemical water-splitting to produce hydrogen is potential to substitute the traditional industrial coal gasification, but the oxygen evolution kinetics at the anode remains sluggish. In this paper, sea urchin-like Fe doped Ni3S2 catalyst growing on nickel foam (NF) substrate is constructed via a simple two-step strategy, including surface iron activation and post sulfuration process. The NF-Fe-Ni3S2
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Unveiling the reaction mechanisms of the synthesis and the excited state intramolecular proton transfer of 2-(2'-hydroxyphenyl)imidazo[1,2-a]pyridine ChemPhysChem (IF 2.9) Pub Date : 2024-02-15 Roger Monreal-Corona, Antony Stasyuk, Miquel Solà, Anna Pla-Quintana, Albert Poater
Given its wide variety of applications in the pharmaceutical industry, the synthesis of imidazo[1,2-a]pyridines has been extensively studied since the beginning of the last century. Here, we disclose the mechanism for the synthesis of imidazo[1,2-a]pyridines by means of the Ortoleva-King reaction. We also reveal the reaction pathway leading to the formation of an iodinated byproduct, demonstrating
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Front Cover: Shrinking Devices: Shape-Memory Polymer Fabrication of Micro-and Nanostructured Electrodes (ChemPhysChem 4/2024) ChemPhysChem (IF 2.9) Pub Date : 2024-02-16 Eduardo González-Martínez, Jose Moran-Mirabal
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Cover Feature: Theoretical Insights into Bifurcated Intramolecular Dihydrogen Bonds (ChemPhysChem 4/2024) ChemPhysChem (IF 2.9) Pub Date : 2024-02-16 Samira Gholami, Mohammad Aarabi, Sławomir J. Grabowski
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Shrinking Devices: Shape-Memory Polymer Fabrication of Micro-and Nanostructured Electrodes ChemPhysChem (IF 2.9) Pub Date : 2024-02-13 Eduardo González-Martínez, Jose Moran-Mirabal
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Metal and metal oxides nanoparticles as nanofillers for biodegradable polymers. ChemPhysChem (IF 2.9) Pub Date : 2024-02-14 Agata Wawrzyńczak, Jagoda Chudzińska, Agnieszka Feliczak-Guzik
Polymeric materials, despite their many undeniable advantages, nowadays are a major environmental challenge. Thus, in recent years biodegradable polymer matrices have been widely used in various sectors, including the medicinal, chemical, and packaging industry. Their widespread use is due to the properties of biodegradable polymer matrices, among which are their adjustable physicochemical and mechanical
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Mechanistic Inquisition on the Reduction of C17Si−(NH2)2 to NH3: A DFT Study ChemPhysChem (IF 2.9) Pub Date : 2024-02-14 Sobitri Sen, Arijit Bag, Sourav Pal
Activation of molecular nitrogen by silicon-substituted cyclo[18]carbon and its ability to produce the C17Si-(NH2)2 derivative, as the precursor of NH3, has been recently reported. This specific acquisition has piqued an interest to investigate the possibility of NH3 formation with further addition of H2 molecules in the gaseous reaction media. The current investigations reported in this article show