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Predicting the Enthalpy of Hydrocarbon Radicals Adsorbed on Pt(111) Using Molecular Fingerprints and Machine Learning J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-18 Jinwoong Nam, Charanyadevi Ramasamy, Daniel E. Raser, Gustavo L. Barbosa Couto, Lydia Thies, David Hibbitts, Fuat E. Celik
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Influence of Alkali Metal Cations on the Oxygen Reduction Activity of Pt5Y and Pt5Gd Alloys J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-18 Kun-Ting Song, Alexandra Zagalskaya, Christian M. Schott, Peter M. Schneider, Batyr Garlyyev, Vitaly Alexandrov, Aliaksandr S. Bandarenka
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High Active Catalyst of the Cu–Ag Bimetal Supported on Defect KTaO3 Nanosheets for the Selective Hydrogenation of Cinnamaldehyde to Cinnamyl Alcohol J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-17 Yuxuan Ma, Dan He, Zhixing Hu, Huiqin Li, Xiaojing Wang
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Control of Oxygen Vacancies of 2D-InOx Fabricated by Liquid Metal Printing via Temperature Modulation J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-16 Kuan-Hung Chen, Chang-Hsun Huang, Chen-Chih Hsiang, Chia-Yi Wu, Yi-Hsiang Yen, Yi-Chia Chou
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Nanoscopic Photomechanical Motion of Small Particles Induced by Optical Force due to Positive and Negative Photoabsorption by Excited States of Molecules J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-15 Syoji Ito, Takato Mizoguchi, Masato Mori, Masafumi Koga, Hikaru Sotome, Mamoru Tamura, Hajime Ishihara, Hiroshi Miyasaka
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Molecular Dynamics Simulations of Interfacial Lithium–Silicon Interdiffusion in Lithium-Ion-Battery Anodes J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-15 Stéphane B. Olou’ou Guifo, Jonathan E. Mueller, Torsten Markus
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Exploring Disordered Light Transport in Scattering Media to Optimize Random Lasers J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-15 Larissa A. Silva, Flávia S. Ferreira, Gessineide S. Oliveira, André L. Moura, Rafael A. de Oliveira, Albert S. Reyna
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Development and Prospects in the Structure and Performance of Lanthanide Single-Molecule Magnets J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-15 Jingtai Li, Yang Yang, Qingquan Yu, Guirong Su, Wei Liu
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Bound States in the Continuum for Hot Electron Generation in Integrated-Resonant Metasurfaces J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Rong Lin, Jin Yao, Zhi Hui Wang, Mu Ku Chen, Din Ping Tsai
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Unraveling the Roles of Individual Metals in Bifunctional Catalysts ZnxCryMnz/SAPO-34 for Boosting Syngas Conversion to Light Olefins J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Zheyi Sun, Bin Shao, Zihao Gao, Zhonghao Jia, Honglai Liu, Jun Hu
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h-BN/Metal-Oxide Interface Grown by Intercalation: A Model System for Nano-Confined Catalysis J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 J. Trey Diulus, Zbynek Novotny, Nanchen Dongfang, Jan Beckord, Yasmine Al-Hamdani, Nicoló Comini, Matthias Muntwiler, Matthias Hengsberger, Marcella Iannuzzi, Jürg Osterwalder
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Tuning the Conductivity by Disorder and Electric Field Near the Metal–Insulator Transition J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 Arya Mohan, Reghu Menon
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Fluorine-Doped Nb2O5 with Rich Oxygen Vacancies Anchored on the N/F Carbon Skeleton for Superior Lithium Storage J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-12 Yuda Lin, Yiheng Chen, Ye Fan, Shenghui Zheng, Liting Qiu
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Adsorption of CO2 by Amine-Functionalized Metal–Organic Frameworks Using GCMC and ReaxFF-Based Metadynamics Simulations J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-15 Yongjian Yang, Yun Kyung Shin, Hideaki Ooe, Urara Hasegawa, Setsuko Yamane, Hayata Yamada, Adri C.T. van Duin, Yasuhiro Murase, John C. Mauro
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Role of Electronegativity in Environmentally Persistent Free Radicals (EPFRs) Formation on ZnO J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-15 Syed Monjur Ahmed, Reuben A. Oumnov, Orhan Kizilkaya, Randall W. Hall, Phillip T. Sprunger, Robert L. Cook
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Arc Plasma Deposition as an Effective and Versatile Method for Loading Highly Dispersed and Active Nanococatalysts onto Particulate Photocatalysts for Efficient H2 Evolution J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-15 Hajime Suzuki, Toshiki Abe, Takahide Otsubo, Yasunori Watanabe, Osamu Tomita, Masanobu Higashi, Akinori Saeki, Ryu Abe
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Fluorinated Thiophene-Based Electrolyte Additives Enable a Robust Cathode Electrolyte Interphase with Conformal Homogeneity for a High-Voltage LiNi0.8Co0.15Al0.05O2 Cathode J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-15 Xiaoyan Lin, Yili Chen, Yuling Fu, Fanghong Zeng, Yutong Kuai, Jizheng Lin, Jiarong He, Lidan Xing, Weishan Li
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Tunability and Long-Range Enhancement of Resonance Energy Transfer Facilitated by Plasmonic Nanorods J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Albert Benjamin Lamonda, David F. Coker, Wendu Ding
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Modeling and Detection of Small Electron Polaron: A Comparison between Bond Distortion Method and Occupation Matrix Control Method J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Yu Gao, Jianhong He, Huazhong Guo
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Strong Light Confinement by a Plasmon-Coupled Parabolic Nanoresonator Array J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Tomoya Oshikiri, Toshiaki Hayakawa, Hiromasa Niinomi, Masaru Nakagawa
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Polymer Wrapping State Changes at Defect Sites of Locally Functionalized Single-Walled Carbon Nanotubes J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Yoshiaki Niidome, Hiromu Matsumoto, Ryo Hamano, Koichiro Kato, Tsuyohiko Fujigaya, Tomohiro Shiraki
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Oxygen Exchange in MIEC Perovskite Oxide La0.6Sr0.4Co0.2Fe0.8O3−δ: Kinetic and Equilibrium Parameters and Their Interrelation J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Rostislav. D. Guskov, Mikhail. P. Popov, Marko. I. Gongola, Ivan. V. Kovalev, Stanislav. A. Chizhik, Alexander. P. Nemudry
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Tuning Fabrication Factors for Reduced Graphene Oxide Forward Osmosis Membranes J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Daniel Nde, Michael Appiah-Kubi, John Watt, Fumiya Watanabe, Wei Zhao
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Understanding Antiferromagnetic Coupling in Lead-Free Halide Double Perovskite Semiconductors J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Kunpot Mopoung, Weihua Ning, Muyi Zhang, Fuxiang Ji, Kingshuk Mukhuti, Hans Engelkamp, Peter C. M. Christianen, Utkarsh Singh, Johan Klarbring, Sergei I. Simak, Igor A. Abrikosov, Feng Gao, Irina A. Buyanova, Weimin M. Chen, Yuttapoom Puttisong
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Tunable Generation of Reactive Oxygen Species in SnO2/SnS2 Nanostructures: Mechanistic Insights into Indigo Carmine Photodegradation J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Kinga Michalec, Bartosz Mozgawa, Anna Kusior, Piotr Pietrzyk, Zbigniew Sojka, Marta Radecka
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Realizing Stable Narrowband Emission Blue Fluorescent Organic Light-Emitting Diodes with Dual-Channel Triplet Exciton Harvesting Host J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Jiaji Yang, Xiaomei Peng, Denghui Liu, Jiting Chen, Weidong Qiu, Xilin Yang, Deli Li, Guoxi Yang, Guanwei Sun, Zhihai Yang, Shi-Jian Su
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In Situ X-ray Photoelectron Spectroscopy Study of Initial Stages of Tungsten Trioxide Reduction by Low-Energy Hydrogen Bombardment J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Ivna Kavre Piltaver, Robert Peter, Kresimir Salamon, Maja Micetic, Mladen Petravic
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Development of Reactive Force Field for DNTF and Molecular Dynamics Simulation of Reaction Mechanism under Shock Loading J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Bin Zhang, Kun Yang, Danyang Liu, Yiwen Xiao, Kaining Zhang, Tuo Yang, Jianying Lu, Junying Wu, Lang Chen
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Quantum Dynamics of the Proton Transfer Collaborated by Multisites in Zeolite-Catalyzed Biomass-Derived Furan Conversion for Benzene J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Yang Yang, Shengbin Chen, Xiaogang Wang, Lei Tong, Bin Hu, Bing Zhang, Ji Liu, Qiang Lu
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Unveiling the Role of Surface Ir-Oxo Species in O2 Evolution at IrO2 Electrocatalysts via Embedded Cluster Multireference Calculations J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-14 Francesca Fasulo, Abhishek Mitra, Ana B. Muñoz-García, Michele Pavone, Laura Gagliardi
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Simple and Efficient Method for Screening Electrocatalyst Supports at the Single Nanoparticle Level J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-11 Yingying Zhao, Mengdan Wei, Zehui Sun, Wei Ma
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High Efficiency Degradation Organic Pollutant Using Novel Heme-Derived Fe–N Co-Doped Carbon Catalyst Activated PDS and H2O2 J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 Caiyi Jiang, Ming Hou, Li Yang, Shenghui Guo, Guo Yang, Bo Xing, Yi Wang, Dongzheng Wang, Xiaolin Shi
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Correlation between Wettability and Dissolution of Calcite in Ion-Free Water J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 Mariam AlMahri, Jin-You Lu, Shih-Wen Chen, Tuza Olukan, Thomas Chung-Kuang Yang, Saeed Alhassan, Matteo Chiesa
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Strong Coupling of Plasmonic Nanorods with a MoSe2 Monolayer in the Near-Infrared Shortwave Region J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 Yiru Wang, Qingzhang You, Ze Li, Lisheng Zhang, Duan Zhang, Peijie Wang
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Growth Mechanisms of GaN/GaAs Nanostructures by Droplet Epitaxy Explained by Complementary Experiments and Simulations J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 Guy Tsamo, Alla G. Nastovjak, Nataliya L. Shwartz, Philip E. Hoggan, Christine Robert-Goumet, Alberto Pimpinelli, Matthieu Petit, Alain Ranguis, Emmanuel Gardes, Mamour Sall, Luc Bideux, Guillaume Monier
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Formation Mechanism of Crystalline Phase during Corrosion of Aluminum Phosphate Glasses J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 Renle Wang, Lili Hu, Yu Tang, Shubin Chen, Yongchun Xu, Jinjun Ren
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Synergistic Effect of Lattice Distortion and Random On-Site Energies in 2D Materials J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 Zongrui Pei
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Exploring the Inner- and Outer-Sphere Mechanistic Pathways of ORR on M–N–Cs with Pyrrolic MN4 Motifs J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 Jian Liang Low, Christina Roth, Beate Paulus
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Upgrading the Density Functional Theory with Machine Learning for the Fast Prediction of Polyaromatic Reactivity at Bimetallic Catalysts J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-13 Jérémie Zaffran, Minyang Jiao, Raphaël Wischert, Stéphane Streiff, Sébastien Paul
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Computational Understanding of Effect of Alkali Earth Metal Dopants on Dehydrogenation Thermodynamics of MgH2 Nanoparticles J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-12 Jae Won Choi, Ki Chul Kim
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Influence of the Coinage Metal(111) Surface on the Orientation of the σ Hole and the Halogen Bonding Strength of Bromo/Iodobenzene J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-12 Pascal Henkel, Kiyan Linus Haiko Pohl, Doreen Mollenhauer
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Nanotubular Arrayed LIPSS Achieved with Femtosecond Bessel Beam on Silver Surface for SERS-Based Multiple Explosive Sensing J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-12 Dipanjan Banerjee, Mangababu Akkanaboina, Ravi Kumar Kanaka, Bikash Ghose, Venugopal Rao Soma
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Capping Agents Enable Well-Dispersed and Colloidally Stable Metallic Magnesium Nanoparticles J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-12 Thomas M. R. Wayman, Vladimir Lomonosov, Emilie Ringe
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Photon Stimulated Desorption of C6H6 on Rutile TiO2(110): Hole or Electron Regulated? J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-12 Yuemiao Lai, Yi Zeng, Xiao Chen, Tao Wang, Qing Guo
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CO Hydrogenation Promoted by Oxygen Atoms Adsorbed onto Cu(100) J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-12 Kaito Nagita, Kazuhide Kamiya, Shuji Nakanishi, Yuji Hamamoto, Yoshitada Morikawa
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Unexpected Strength of Noble Gas Solids in Diamond Anvil Cells J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-12 Hui Liang, Nan Min, Di Wang, Xianqi Song, Pengyue Gao, Quan Li
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Directional Exciton Diffusion, Measured by Subpicosecond Transient Absorption as an Explanation for Squaraine Solar Cell Performance J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-11 Tyler J. Wiegand, Juan S. Sandoval, Jeremy A. Cody, David W. McCamant, Christopher J. Collison
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Al Distribution of MWW Zeolites and Its Correlation with Catalytic Performance in Direct Syngas Conversion J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-11 Yilun Ding, Yongzhi Zhao, Dengyun Miao, Zhili Wang, Jingyao Feng, Feng Jiao, Xiulian Pan, Xinhe Bao
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Nanochannel Water in Molecular Porous Crystals for Methane Storage J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-11 Hiroshi Matsui, Keisuke Atsumi, Makoto Tadokoro
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Robust Nonmetallicity of NH3BH3 under Extreme Deviatoric Stresses J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-11 Han Liu, Chang Liu, Changfeng Chen
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Long-Lived Charge-Separated States in ZnS/Na-MOR Zeolite upon trans-Stilbene Adsorption J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-10 Pedro H. M. Andrade, Matthieu Hureau, Anne-Sophie Mamede, Pascale Massiani, Alexandre Legrand, Alain Moissette
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Revealing Local and Directional Aspects of Catalytic Active Sites by the Nuclear and Surface Electrostatic Potential J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-12 Joakim Halldin Stenlid, Frank Abild-Pedersen
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Reorientational Dynamics in Y(BH4)3·xNH3 (x = 0, 3, and 7): The Impact of NH3 on BH4– Dynamics J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-09 J. B. Grinderslev, U. Häussermann, T. R. Jensen, A. Faraone, M. Nagao, M. Karlsson, T. J. Udovic, M. S. Andersson
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Structural Modulation and BC8 Enrichment of Silicon via Dynamic Decompression J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-10 Yubing Du, Guoshuai Du, Hongliang Dong, Jiayin Li, Wuxiao Han, Bin Chen, Yabin Chen
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Zinc Dopant-Induced Modulation of Electronic Structure and Defect Emissions in Monoclinic Gallium Oxide J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-09 S. M. Naimul Mamun, Dholon Kumar Paul, Fatima Matar, Cuong Ton-That, M. Azizar Rahman
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Effect of the Chemical States of Copper on Methanol Decomposition and Oxidation J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-08 Jianyu Wang, Chaoran Li, Yaguang Zhu, Shyam Patel, Jorge Anibal Boscoboinik, Guangwen Zhou
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Stability and Electronic Structure of Nitrogen-Doped Graphene-Supported Cun (n = 1–5) Clusters in Vacuum and under Electrochemical Conditions: Toward Sensor and Catalyst Design J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-08 Márton Guba, Tibor Höltzl
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Adsorbate-Dependent Electronic Structure Descriptors for Machine Learning-Driven Binding Energy Predictions in Diverse Single Atom Alloys: A Reductionist Approach J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-08 Javad Shirani, Julio J. Valdes, Alain B. Tchagang, Kirk H. Bevan
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An All-Atom Force Field for Dry and Water-Lubricated Carbon Tribological Interfaces J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-08 Thomas Reichenbach, Severin Sylla, Leonhard Mayrhofer, Pedro Antonio Romero, Paul Schwarz, Michael Moseler, Gianpietro Moras
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Interpretation of H2-TPR from Cu-CHA Using First-Principles Calculations J. Phys. Chem. C (IF 3.7) Pub Date : 2024-03-08 Joachim D. Bjerregaard, Joonsoo Han, Derek Creaser, Louise Olsson, Henrik Grönbeck