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Multiphoton Control of 6π Photocyclization via State-Dependent Reactant–Product Correlations J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-24 Ryan P. Brady, Chaoqun Zhang, Justin R. DeFrancisco, Brandon J. Barrett, Lan Cheng, Arthur E. Bragg
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Fine-Structure Constant Connects Electronic Polarizability and Geometric van-der-Waals Radius of Atoms J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-24 Alexandre Tkatchenko, Dmitry V. Fedorov, Matteo Gori
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A Two-Step Baromechanical Cycle for Repeated Activation and Deactivation of Mechanophores J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-24 Sourabh Kumar, Felix Zeller, Tim Stauch
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Photoelectron Spectroscopy and Theoretical Investigations of Gaseous Doubly Deprotonated 2′-Deoxynucleoside 5′-Monophosphate Dianions J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-24 Qinqin Yuan, Lidia Chomicz-Mańka, Samanta Makurat, Wenjin Cao, Janusz Rak, Xue-Bin Wang
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Quantum Yield Measurements of Photochemical Reaction-Based Afterglow Luminescence Materials J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-24 Qianwen Zhou, Ming Xu, Wei Feng, Fuyou Li
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Edge-Enriched Large-Area Hexagonal BN Ultrathin Films with Enhanced Optical Second Harmonic Generation J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-24 Yu Zhao, Jun Ye, Hao Wang, Fan Zhang, Muhua Sun, Bohan Yu, Jianlin Wang, Yu Liu, Xinyan Shan, Xuedong Bai, Wenlong Wang
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Hyperfine-Induced Electron-Spin Dephasing in Negatively Charged Colloidal Quantum Dots: A Survey of Size Dependence J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-24 Yuanyuan Zhang, Meizhen Jiang, Zhen Wu, Qing Yang, Yumeng Men, Lin Cheng, Pan Liang, Rongrong Hu, Tianqing Jia, Zhenrong Sun, Donghai Feng
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Targeted Free Energy Perturbation Revisited: Accurate Free Energies from Mapped Reference Potentials J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-23 Andrea Rizzi, Paolo Carloni, Michele Parrinello
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Light-Induced Modulation of Chiral Functions in G-Quadruplex–Photochrome Systems J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-23 Marta Dudek, Marco Deiana, Kinga Szkaradek, Mikołaj J. Janicki, Ziemowit Pokładek, Robert W. Góra, Katarzyna Matczyszyn
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From Two-, One-, to Zero-Dimensional Vacancies: A Densification Pattern for a Typcial Transition-Metal Dichalcogenide of TiSe2 J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-23 Kai Hu, Li-Min Guan, Dong Han, Fuyang Liu, Sheng-Yi Xie
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Decoupled Ion Transport in Protein-Based Solid Electrolyte through Ab Initio Calculations and Experiments J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-23 Chunhua Ying, Xuewei Fu, Wei-Hong Zhong, Jin Liu
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Topology-Mediated Enhanced Polaron Coherence in Covalent Organic Frameworks J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-23 Raja Ghosh, Francesco Paesani
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The Role of Organic and Inorganic Structure-Directing Agents in Selective Al Substitution of Zeolite J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-23 Zhili Wang, Weifeng Chu, Zhenchao Zhao, Zhengmao Liu, Hongyu Chen, Dong Xiao, Ke Gong, Fan Li, Xiujie Li, Guangjin Hou
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Evolution of the Ionization Energy in Two- and Three-Dimensional Thin Films of Pentacene Grown on Silicon Oxide Surfaces J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-23 Keitaro Eguchi, Hideyuki Murata
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Insights into Coke Formation and Removal under Operating Conditions with a Quantum Nanoreactor Approach J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-23 Tingyu Lei, Xingchen Liu, Amar Deep Pathak, Sharan Shetty, Qingya Liu, Xiaodong Wen
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Role of Polysulfide Anions in Solid-Electrolyte Interphase Formation at the Lithium Metal Surface in Li–S Batteries J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 Kie Hankins, Venkateshkumar Prabhakaran, Sungun Wi, Vaithiyalingam Shutthanandan, Grant E. Johnson, Swadipta Roy, Hui Wang, Yuyan Shao, Suntharampillai Thevuthasan, Perla B. Balbuena, Karl T. Mueller, Vijayakumar Murugesan
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Magnetic Circular Dichroism Responses with High Sensitivity and Enhanced Spectral Resolution in Multipolar Plasmonic Modes of Silver Nanoparticles with Dimensions between 90 and 200 nm J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 Yuki Nagumo, Hiroshi Yao
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Insights on Alanine and Arginine Binding to Silica with Atomic Resolution J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 Stefan Rauwolf, Saientan Bag, Rodrigo Rouqueiro, Sebastian Patrick Schwaminger, Ana Cristina Dias-Cabral, Sonja Berensmeier, Wolfgang Wenzel
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Plasmon Character Index: An Accurate and Efficient Metric for Identifying and Quantifying Plasmons in Molecules J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 James Langford, Xi Xu, Yang Yang
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Surprisingly Good Performance of XYG3 Family Functionals Using a Scaled KS-MP3 Correlation J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 Golokesh Santra, Emmanouil Semidalas, Jan M. L. Martin
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Recent Progress toward Ab Initio Modeling of Electrocatalysis J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-09 Jia-Bo Le, Xiao-Hui Yang, Yong-Bin Zhuang, Mei Jia, Jun Cheng
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Halide Perovskites for Memristive Data Storage and Artificial Synapses J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Kyung Ju Kwak, Da Eun Lee, Seung Ju Kim, Ho Won Jang
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Driving Forces and Routes for Aggregation-Induced Emission-Based Highly Luminescent Metal Nanocluster Assembly J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Debkumar Bera, Nirmal Goswami
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Superconducting Long-Range Proximity Effect through the Atomically Flat Interface of a Bi2Te3 Topological Insulator J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Vasily S. Stolyarov, Stephane Pons, Sergio Vlaic, Sergey V. Remizov, Dmitriy S. Shapiro, Christophe Brun, Sergey I. Bozhko, Tristan Cren, Tatiana V. Menshchikova, Evgueni V. Chulkov, Walter V. Pogosov, Yuriy E. Lozovik, Dimitri Roditchev
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Intrinsic Magnetic Topological Insulator State Induced by the Jahn–Teller Effect J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 E. K. Petrov, A. Ernst, T. V. Menshchikova, E. V. Chulkov
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Electric Field Controlled Single-Molecule Optical Switch by Through-Space Charge Transfer State J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-14 Guangjun Tian, Feifei Qiu, Ce Song, Sai Duan, Yi Luo
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The Origin of Magic Angle in Twisted Bilayer Graphene is Heisenberg’s Uncertainty Principle J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-15 Yuechen Gao, Xi Zhu
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Low-Cost Synthesis of Silicon Quantum Dots with Near-Unity Internal Quantum Efficiency J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-09 Jingjian Zhou, Jing Huang, Huai Chen, Archana Samanta, Jan Linnros, Zhenyu Yang, Ilya Sychugov
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Composite Memristors by Nanoscale Modification of Hf/Ta Anodic Oxides J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-09 Ivana Zrinski, Alexey Minenkov, Cezarina Cela Mardare, Achim Walter Hassel, Andrei Ionut Mardare
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Unnatural Hygroscopic Property of Nicotinic Acid by Restructuring Molecular Density: Self-Healing Halide Perovskites J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-10 Do Hyung Chun, Yunseop Shin, Eun Ho Kim, Yung Ji Choi, Ryan Rhee, Donghwa Lee, Dongho Kim, Jong Hyeok Park
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One-Step Green Solvothermal Synthesis of Full-Color Carbon Quantum Dots Based on a Doping Strategy J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-09 Danyang Zhang, Daiyong Chao, Chunyu Yu, Qi Zhu, Shihong Zhou, Long Tian, Liang Zhou
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Bioresistive Random-Access Memory with Gold Nanoparticles that Generate the Coulomb Blocking Effect Can Realize Multilevel Data Storage and Synapse Simulation J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-10 Lu Wang, Hongyu Zhu, Dianzhong Wen
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Charge Transfer Mechanisms Regulated by the Third Component in Ternary Organic Solar Cells J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-10 Ming-Yang Li, Yi-Qi Pan, Guang-Yan Sun, Yun Geng
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Elastic Properties of High-Symmetry Sb4O6 Cage-Molecular Crystal J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Congcong Wu, Jun Peng, Weiwen Pu, Shengnan Lu, Chao Zhang, Nan Wu, Zhaoru Sun, Hongti Zhang, Hung-Ta Wang
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Extracting Electrons from Delocalized Excitons by Flattening the Energetic Pathway for Charge Separation J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Shanika Wanigasekara, Bhupal Kattel, Fatimah Rudayni, Wai-Lun Chan
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Distinct Chemistries Explain Decoupling of Slip and Wettability in Atomically Smooth Aqueous Interfaces J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Anthony R. Poggioli, David T. Limmer
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Decoupling Radiative and Auger Processes in Semiconductor Nanocrystals by Shape Engineering J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-15 Yang Zhou, Marco Califano
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Parsimonious Potential Energy Surface Expansions Using Dictionary Learning with Multipass Greedy Selection J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-16 Daniel R. Moberg, Ahren W. Jasper, Michael J. Davis
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Immobilization of Cyanines in DNA Produces Systematic Increases in Fluorescence Intensity J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-10 Natalie A. Pace, Scott P. Hennelly, Peter M. Goodwin
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Ultrafast Fluctuations in PM6 Domains of Binary and Ternary Organic Photovoltaic Thin Films Probed with Two-Dimensional White-Light Spectroscopy J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-10 Zachary T. Armstrong, Miriam Bohlmann Kunz, Martin T. Zanni
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Halide Perovskite Nanocrystals with Enhanced Water Stability for Upconversion Imaging in a Living Cell J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Pavel M. Talianov, Oleksii O. Peltek, Mikhail Masharin, Soslan Khubezhov, Mikhail A. Baranov, Audrius Drabavičius, Alexander S. Timin, Lev E. Zelenkov, Anatoly P. Pushkarev, Sergey V. Makarov, Mikhail V. Zyuzin
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Surface Depletion Effects in Bromide-Ligated Colloidal Cadmium Selenide Nanoplatelets: Toward Efficient Emission at High Temperature J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-14 Zitong Zhang, Yi Tian Thung, Lin Wang, Xiaoxuan Chen, Lu Ding, Weijun Fan, Handong Sun
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Polaritonic Unitary Coupled Cluster for Quantum Computations J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-14 Fabijan Pavošević, Johannes Flick
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Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-15 Sam Shepherd, Jinggang Lan, David M. Wilkins, Venkat Kapil
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Perovskite Quantum Dots with Ultrahigh Solid-State Photoluminescence Quantum Efficiency, Superior Stability, and Uncompromised Electrical Conductivity J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-16 Jun Bo, Xiaojuan Sun, Peng Wan, Dong Huang, Xingtong Chen, Mengyu Chen, Rui Li, Dongyang Shen, Qinyi Li, Wenlin Xia, Zi Ye, Yu Chen, Song Chen
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Sequence Determines the Switch in the Fibril Forming Regions in the Low-Complexity FUS Protein and Its Variants J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Abhinaw Kumar, Debayan Chakraborty, Mauro Lorenzo Mugnai, John E. Straub, D. Thirumalai
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Unveiling the Microscopic Mechanism of Current Variation in the Sensing Region of the MspA Nanopore for DNA Sequencing J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-15 Meng Yu, Wei Si, Tao Zeng, Chang Chen, Xiaojing Lin, Zhouxiang Ji, Fei Guo, Yuxiang Li, Jingjie Sha, Yuliang Dong
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E. coli Ribonucleotide Reductase β2 Subunit Inactivation by Triapine Occurs through Binding of a Triapine–Fe(II) Adduct J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Mohammad S. Safiarian, R. Atlee Watson, Raquel L. Lieberman, Bridgette A. Barry, Adam R. Offenbacher
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Multilevel Theoretical Screening of Novel Two-Dimensional MA2Z4 Family for Hydrogen Evolution J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-15 Yuyan Liu, Yujin Ji, Youyong Li
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Entropic Stabilization of Water at Graphitic Interfaces J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-15 Tod A. Pascal, William A. Goddard III
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Capture of Toxic Oxoanions from Water Using Metal–Organic Frameworks J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-16 Robert Stanton, Emma Russell, Hayden Brandt, Dhara J. Trivedi
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Catching the Reversible Formation and Reactivity of Surface Defective Sites in Metal–Organic Frameworks: An Operando Ambient Pressure-NEXAFS Investigation J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-16 Luca Braglia, Francesco Tavani, Silvia Mauri, Raju Edla, Damjan Krizmancic, Alessandro Tofoni, Valentina Colombo, Paola D’Angelo, Piero Torelli
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Interfacial Bridging Strategy for Charge Extraction/Injection in the BiVO4/CoSn-Layered Double Hydroxide p–n Heterojunction Approach Using Graphene Quantum Dots for Enhanced Water Oxidation Kinetics J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-10 Suhaib Alam, Mohammad Qureshi
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Controllably Electrodepositing ZIF-8 Protective Layer for Highly Reversible Zinc Anode with Ultralong Lifespan J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-13 Xiaomin Zeng, Jing Zhao, Zhengwei Wan, Wei Jiang, Min Ling, Lijing Yan, Chengdu Liang
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Multiple-Function Surface Engineering of SnO2 Nanoparticles to Achieve Efficient Perovskite Solar Cells J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-15 Hui Wang, Jifeng Yuan, Jiahao Xi, Jiuyao Du, Jianjun Tian
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Correction to “State-Selective Observation of Radiative Cooling of Vibrationally Excited C2–” J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-10 Shimpei Iida, Susumu Kuma, Hajime Tanuma, Toshiyuki Azuma, Haruo Shiromaru
Our original Letter presents incorrect values in the wavenumber axis of the spectra and in the spectroscopic constants. These errors do not affect the discussion and conclusion. The horizontal axes of the detachment spectra in Figure 2 of the main text and Figure S3 of the Supporting Information should be shifted as follows: Figure 2a, +5.3 cm–1; Figure 2b, +6.0 cm–1; Figure S3a, +5.7 cm–1; Figure
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Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 J. Matthias Kahk, Georg S. Michelitsch, Reinhard J. Maurer, Karsten Reuter, Johannes Lischner
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Solving Quantum-Dot Excitonic Riddles with Absolute Pump–Probe Spectroscopy J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 Sanford Ruhman
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Chebyshev Matrix Product States with Canonical Orthogonalization for Spectral Functions of Many-Body Systems J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 Tong Jiang, Jiajun Ren, Zhigang Shuai
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Photoinduced Dynamic Defects Responsible for the Giant, Reversible, and Bidirectional Light-Soaking Effect in Perovskite Solar Cells J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-21 Jing Wang, Xiangmei Duan, Wan-Jian Yin
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