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Modeling Intermolecular Coulombic Decay with Non-Hermitian Real-Time Time-Dependent Density Functional Theory J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-25 Yi-Siang Wang, James X. Zhong Manis, Matthew C. Rohan, Thomas M. Orlando, Joshua S. Kretchmer
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Role of AcrAB-TolC and Its Components in Influx–Efflux Dynamics of QAC Drugs in Escherichia coli Revealed Using SHG Spectroscopy J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-25 Deepak Singh, Deepak Kumar, Anindita Gayen, Manabendra Chandra
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A Connected Convolutional Neutral Network Protocol for Design of Two-Dimensional Materials Based on Modified Graphdiyne J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-25 Junqing Li, Ziyi Liu, Zhehuan Zhao, Dongqi Wang
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Optical Properties of H-Bonded Heterotriangulene Supramolecular Polymers: Charge-Transfer Excitations Matter J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-25 Jesús Cerdá, Enrique Ortí, David Beljonne, Juan Aragó
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The Complex (Organic) Puzzle of the Formation of Hydrogen Cyanide and Isocyanide on Interstellar Ice Analogues J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-25 Joan Enrique-Romero, Thanja Lamberts
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Influence of Substrate-Induced Charge Doping on Defect-Related Excitonic Emission in Monolayer MoS2 J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-25 Kyle T. Munson, Riccardo Torsi, Shreya Mathela, Maxwell A. Feidler, Yu-Chuan Lin, Joshua A. Robinson, John B. Asbury
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Ligand-Induced Size-Dependent Circular Dichroism in Quantum Dots J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-25 Daniel Chabeda, Stephen Gee, Eran Rabani
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Chirality of CsPbBr3 Nanocrystals with Varying Dimensions in the Presence of Chiral Molecules J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-25 Antika Das, Supriya Ghosal, Kritiman Marjit, Swapan K. Pati, Amitava Patra
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Excitation-Wavelength-Dependent Photophysics of a Torsionally Disordered Push–Pull Dye J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-25 Ina Fureraj, Johannes Wega, Evangelos Balanikas, Khurnia Krisna Puji Pamungkas, Naomi Sakai, Stefan Matile, Eric Vauthey
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In Situ High-Pressure Correlated Transportation of Heavy Rare-Earth Perovskite Nickelates as Batch Synthesized within Eutectic Molten Salts at MPa-pO2 J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-23 Yuchen Cui, Jingxin Gao, Hongliang Dong, Ziang Li, Ziyou Zhang, Vei Wang, Kaiqi Nie, Zhidan Zeng, Yong Jiang, Nuofu Chen, Ho-kwang Mao, Jikun Chen
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Inverse Regulation of C–C Chemokine Receptor 3 Oligomerization by Downstream Proteins Indicates Biased Signal Transduction Pathways J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-22 Jiqiang Li, Yu Li, Yanzhi Ding, Yanzhuo Song, Junfeng Li, Haitao Chen, Guoqing Feng, Xiaojuan Wang, Baosheng Ge, Ning Ding, Fang Huang
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Efficient Deep Model Ensemble Framework for Drug-Target Interaction Prediction J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-22 Jinhang Wei, Yangbin Zhu, Linlin Zhuo, Yang Liu, Xiangzheng Fu, Fushan Li
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Modeling Electrochemical Vacancy Regeneration in Single-Walled Carbon Nanotubes J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Jana Jelušić, Jan Paul Menzel, Quentin C. Bertrand, Robert H. Crabtree, Hailiang Wang, Gary W. Brudvig, Victor S. Batista
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Revealing the Size and Potential Dependent D2O Microkinetics on Pt Nanoparticles Using Grand Canonical Ensemble Modeling J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Shibin Wang, Xinyu Li, Jingnan Zheng, Jianguo Wang
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Skyrmions Subtractor Based on Dzyaloshinskii–Moriya Interaction Gate J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Na Cai, Yan Liu
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Photoinduced Carbon Dioxide Release via a Metastable Photoacid in a Nonaqueous Environment J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Dani Cotton, Thien Khuu, Kana Takematsu, Berk Delibas, Jahan M. Dawlaty
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Spin-Charge Conversion in Chiral Polymers with Hopping Conduction J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Zhi-Gang Yu
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pH-Dependent Effects in Nanofluidic Memristors J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Sergio Portillo, José A. Manzanares, Patricio Ramirez, Juan Bisquert, Salvador Mafe, Javier Cervera
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Understanding the K+/Na+-Selectivity-Enabled Osmotic Power Generation: High Selectivity May Not Be Indispensable J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Linhan Du, Jipeng Li, Xian Kong, Diannan Lu, Zheng Liu, Wei Guo
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Co-Cation Engineering via Mixing of Acetamidinium and Rubidium in FASnI3 for Tin Perovskite Solar Cells to Attain 14.5% Efficiency J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Chun-Hsiao Kuan, Tzu-Shen Liao, Sudhakar Narra, Yi-Wei Tsai, Jhih-Min Lin, Guan-Ruei Chen, Eric Wei-Guang Diau
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Precise Construction of Chiral Plasmonic Nanoparticles for Enantioselective Discrimination J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Longwang Kan, Zhenqian Zhang, Junle Zhang, Qianwei Liu, Chenrong Yuan, Yanjie He, Wenjie Zhang, Xiaoguang Qiao, Ge Shi, Xinchang Pang
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Precision Measurement of the Electron Affinity of Chlorine via High-Resolution Photoelectron Spectroscopy J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-24 Shuaiting Yan, Rui Zhang, Chuangang Ning
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Hydrogen-Bonded Network of Water in Phase-Separated Biomolecular Condensates J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-23 Ashish Joshi, Anamika Avni, Anuja Walimbe, Sandeep K. Rai, Snehasis Sarkar, Samrat Mukhopadhyay
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Unraveling the Photocatalytic Mechanism of N2 Fixation on Single Ruthenium Sites J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-23 Wei Pei, Lei Hou, Zi Wang, Jiaqi Tian, Yongfeng Liu, Yusong Tu, Jijun Zhao, Si Zhou
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Do Molecular Geometries Change Under Vibrational Strong Coupling? J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-23 Thomas Schnappinger, Markus Kowalewski
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Plasmon–Exciton Interaction at the Nanoscale: Silver Is More “Precious” than Gold! J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-22 Jyotirban Dey, Alisha Virdi, Manabendra Chandra
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Nonequilibrium Lattice Dynamics of Individual and Attached PbSe Quantum Dots under Photoexcitation J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-22 Luye Yue, Jingjun Li, Changyuan Yao, Jie Chen, Chang Yan, Xuan Wang, Jianming Cao
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Population Oscillations and Ubiquitous Coherences in Multilevel Quantum Systems Driven by Incoherent Radiation J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-22 Amro Dodin, Timur V. Tscherbul, Paul Brumer
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Prospective Chalcohalide Perovskites: Pursuing (and Failing) the Synthesis of CsBiSCl2 Nanocrystals J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-22 Danila Quarta, David Maria Tobaldi, Carlo Giansante
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Sustainable Mixed-Halide Perovskite Resistive Switching Memories Using Self-Assembled Monolayers as the Bottom Contact J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-22 Michalis Loizos, Konstantinos Rogdakis, Emmanuel Kymakis
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A-Site Cations Impact on Nonradiative Recombination, Mobility, and Defect Dynamics in Sn-Based Perovskites J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-22 Zhaosheng Zhang, Sijia Liu, Qing Xiong
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Procrystalline Self-Assembly of Desymmetrized Pentaphenylcyclopentadiene J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-20 Donglin Li, Sota Seki, Atsushi Ishikawa, Kenichiro Omoto, Kazuma Yasuhara, Gwénaël Rapenne, Shigeki Kawai
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Self-Blinking Thioflavin T for Super-resolution Imaging J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-19 Qiqi Yang, Elnaz Hosseini, Peigen Yao, Sabine Pütz, Márton Gelléri, Mischa Bonn, Sapun H. Parekh, Xiaomin Liu
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Modulation of Biomolecular Liquid–Liquid Phase Separation by Preferential Hydration and Interaction of Small Osmolytes with Proteins J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-19 Keiji Kitamura, Ayano Oshima, Fuka Sasaki, Yutaro Shiramasa, Ryu Yamamoto, Tomoshi Kameda, Soichiro Kitazawa, Ryo Kitahara
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Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet–Triplet Gap System: A Wigner Phase Space Study J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-19 Pijush Karak, Pradipta Manna, Ambar Banerjee, Kenneth Ruud, Swapan Chakrabarti
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Unveiling the Structural and Dynamic Characteristics of Concentrated LiNO3 Aqueous Solutions through Ultrafast Infrared Spectroscopy and Molecular Dynamics Simulations J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-19 Miaomiao Zhang, Jiahui Peng, Yuting Gao, Baihui Wang, Jiman He, Yimin Bai, Jing Liu, Cheng-Lung Chen, Yu Fang, Hongtao Bian
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How Nonpolar CO2 Aggregates on Cycloalkenes: A Case Study with Cyclopentene-(CO2)1–3 Clusters J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-19 Juncheng Lei, Xiao Tian, Juan Wang, Sven Herbers, Meng Li, Tianyue Gao, Siyu Zou, Jens-Uwe Grabow, Qian Gou
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Stepwise Photochromism of Large Macrocycles Incorporating Two Negative Photochromic Units J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-18 Natsuho Moriyama, Shiori Yagi, Jiro Abe
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Plasmon Mediated Single Photon Emission from a Nanocrystal Ensemble J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-18 Pritha Mondal, Subham Kumar Saha, Parna Roy, Navyashree Vasudeva, Ashwini Anshu, Guru Pratheep Rajasekar, Anshu Pandey
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A Perspective on the Investigation of Spectroscopy and Kinetics of Complex Molecular Systems with Semiclassical Approaches J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-18 Riccardo Conte, Chiara Aieta, Marco Cazzaniga, Michele Ceotto
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Phonon-Mediated Exciton Relaxation in Two-Dimensional Semiconductors: Selection Rules and Relaxation Pathways J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-18 Xiao-Wei Zhang, Kaichen Xie, En-Ge Wang, Xin-Zheng Li, Ting Cao
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La(FeCuMnMgTi)O3 High-Entropy Oxide Nanoparticles as Highly Efficient Catalysts for Solvent-Free Aerobic Oxidation of Benzyl Alcohol J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-18 Ahmad Ostovari Moghaddam, Seyedsaeed Mehrabi-Kalajahi, Xueqiang Qi, Rana Salari, Rahele Fereidonnejad, Amin Abdollahzadeh, Daniil A. Uchaev, Elena A. Kazakova, Mikhail A. Varfolomeev, Andreu Cabot, Andrey S. Vasenko, Evgeny A. Trofimov
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Transferability and Accuracy of Ionic Liquid Simulations with Equivariant Machine Learning Interatomic Potentials J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-18 Zachary A. H. Goodwin, Malia B. Wenny, Julia H. Yang, Andrea Cepellotti, Jingxuan Ding, Kyle Bystrom, Blake R. Duschatko, Anders Johansson, Lixin Sun, Simon Batzner, Albert Musaelian, Jarad A. Mason, Boris Kozinsky, Nicola Molinari
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Molecular Orientation-Dependent Photonic Polarization Engineering in Organic Single-Crystal-Filled Microcavities J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-18 Qian Liang, Xuekai Ma, Jiahuan Ren, Cunbin An, Chunling Gu, Bo Liao, Qing Liao
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Controllable Synthesis of Cadmium-Free Blue-Emitting Cu–Ga–Zn–S-Based Nanocrystals for Solution-Processed Quantum-Dot Light-Emitting Diodes J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-18 Danxing Hou, Peiwen Lv, Wentao Niu, Zhongyuan Guan, Lijin Wang, Jinxing Zhao, Xu Li, Haihang Ye, Aiwei Tang
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Origin of the Improved Photoelectrochemical and Photocatalytic Activity in a ZnO-TiO2 Nanohybrid Revealed by Experimental and Density Functional Theory Studies J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-18 Abinash Das, Dongyu Liu, Yifan Wu, Bayan Amer Abzakh, Madhumitha R, Preethi M, Elena A. Kazakova, Andrey S. Vasenko, Oleg V. Prezhdo
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Effect of Aerosol Size on Glass Transition Temperature J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-17 Sunandan Mahant, Jefferson R. Snider, Sarah S. Petters, Markus D. Petters
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Intrinsic Chiroptical Activity and Excitonic Properties of Group II–VI Magic-Size Clusters J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-17 Pingping Han, Xiaowei Yang, Tingli Du, Jijun Zhao, Si Zhou
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The Role of Double Excitations in Exciton Dynamics of Multiazobenzenes: Trisazobenzenophane as a Test Case J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-16 Evgenii Titov
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The Consequences of Random Sequential Adsorption for the Precursor Packing and Growth-Per-Cycle of Atomic Layer Deposition Processes J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-16 I. Tezsevin, J. H. Deijkers, M. J. M. Merkx, W. M. M. Kessels, T. E. Sandoval, A. J. M. Mackus
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The Halogenation Effect Induces a Variety of Switchable Phase Transition and Second-Harmonic-Generation Materials J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-16 Siqi Yang, Xuanshan Zhou, Yangxue Mao, Xinyu Qiu, Ting Jiang, Yiyi Zeng, Zhongning Chen, Guoyong Chen, Hu Cai, Zhenhong Wei
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Electronic Polarization Leads to a Drier Dewetted State for Hydrophobic Gating in the Big Potassium Channel J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-15 Jiahua Deng, Qiang Cui
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Molecular Strong Coupling and Cavity Finesse J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-15 Kishan S. Menghrajani, Adarsh B. Vasista, Wai Jue Tan, Philip A. Thomas, Felipe Herrera, William L. Barnes
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Spin–Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-15 Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
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Femtosecond Stimulated Raman Spectroscopy of Linear Carotenoids J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-15 Ivana Šímová, Petra Chrupková, Alastair T. Gardiner, Michal Koblížek, Miroslav Kloz, Tomáš Polívka
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Measuring the Electric Fields of Ions Captured in Crown Ethers J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-15 Anwesha Maitra, William R. Lake, Ahmed Mohamed, Sean C. Edington, Pratyusha Das, Barry C. Thompson, Sharon Hammes-Schiffer, Mark Johnson, Jahan M. Dawlaty
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Red-to-Blue Triplet–Triplet Annihilation Upconversion for Calcium Sensing J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-15 Valeriia D. Andreeva, Irene Regeni, Tingxiang Yang, Anna Elmanova, Martin Presselt, Benjamin Dietzek-Ivanšić, Sylvestre Bonnet
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Unveiling the Role of Spin Currents on the Giant Rashba Splitting in Single-Layer WSe2 J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-15 Alberto Boccuni, Bárbara Maria Teixeira Costa Peluzo, Filippo Bodo, Giacomo Ambrogio, Jefferson Maul, Davide Mitoli, Giovanni Vignale, Stefano Pittalis, Elfi Kraka, Jacques K. Desmarais, Alessandro Erba
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A Co-Doping Materials Design Strategy for Selective Ozone Electrocatalysts J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-11 Rayan Alaufey, John A. Keith, Maureen Tang
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Stimulated Emission of Virtual Photons: Energy Transfer by Light J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-07-11 Lorenz S. Cederbaum, Alexander I. Kuleff