Search Results - "The journal of physical chemistry letters"

How To Correctly Determine the Band Gap Energy of Modified Semiconductor Photocatalysts Based on UV–Vis Spectra by Makuła, Patrycja, Pacia, Michał, Macyk, Wojciech

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High Defect Tolerance in Lead Halide Perovskite CsPbBr3 by Kang, Jun, Wang, Lin-Wang

“…The formation energies and charge-transition levels of intrinsic point defects in lead halide perovskite CsPbBr3 are studied from first-principles…”
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Experimental Realization of Diffusion with Stochastic Resetting by Tal-Friedman, Ofir, Pal, Arnab, Sekhon, Amandeep, Reuveni, Shlomi, Roichman, Yael

“…Stochastic resetting is prevalent in natural and man-made systems, giving rise to a long series of nonequilibrium phenomena. Diffusion with stochastic…”
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Enhanced Thermal Stability in Perovskite Solar Cells by Assembling 2D/3D Stacking Structures by Lin, Yun, Bai, Yang, Fang, Yanjun, Chen, Zhaolai, Yang, Shuang, Zheng, Xiaopeng, Tang, Shi, Liu, Ye, Zhao, Jingjing, Huang, Jinsong

“…Two-dimensional (2D) perovskites have been shown to be more stable than their three-dimensional (3D) counterparts due to the protection of the organic ligands…”
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CsPbBr3 Perovskite Nanocrystal Grown on MXene Nanosheets for Enhanced Photoelectric Detection and Photocatalytic CO2 Reduction by Pan, Aizhao, Ma, Xiaoqin, Huang, Shengying, Wu, Youshen, Jia, Mengjun, Shi, Yeming, Liu, Ya, Wangyang, Peihua, He, Ling, Liu, Yi

“…All-inorganic CsPbX3 (X = Cl, Br or I) perovskite nanocrystals have attracted extensive interest recently due to their exceptional optoelectronic properties…”
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The Priority and Challenge of High-Power Performance of Low-Platinum Proton-Exchange Membrane Fuel Cells by Kongkanand, Anusorn, Mathias, Mark F.

“…Substantial progress has been made in reducing proton-exchange membrane fuel cell (PEMFC) cathode platinum loadings from 0.4–0.8 mgPt/cm2 to about 0.1…”
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The Bending Mode of Water: A Powerful Probe for Hydrogen Bond Structure of Aqueous Systems by Seki, Takakazu, Chiang, Kuo-Yang, Yu, Chun-Chieh, Yu, Xiaoqing, Okuno, Masanari, Hunger, Johannes, Nagata, Yuki, Bonn, Mischa

“…Insights into the microscopic structure and dynamics of the water’s hydrogen-bonded network are crucial to understand the role of water in biology, atmospheric…”
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Parity-Forbidden Transitions and Their Impact on the Optical Absorption Properties of Lead-Free Metal Halide Perovskites and Double Perovskites by Meng, Weiwei, Wang, Xiaoming, Xiao, Zewen, Wang, Jianbo, Mitzi, David B, Yan, Yanfa

“…Using density functional theory calculations, we analyze the optical absorption properties of lead (Pb)-free metal halide perovskites (AB2+X3) and double…”
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How Important Is the Organic Part of Lead Halide Perovskite Photovoltaic Cells? Efficient CsPbBr3 Cells by Kulbak, Michael, Cahen, David, Hodes, Gary

“…Hybrid organic–inorganic lead halide perovskite photovoltaic cells have already surpassed 20% conversion efficiency in the few years that they have been…”
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Electrode–Electrolyte Interface in Li-Ion Batteries: Current Understanding and New Insights by Gauthier, Magali, Carney, Thomas J, Grimaud, Alexis, Giordano, Livia, Pour, Nir, Chang, Hao-Hsun, Fenning, David P, Lux, Simon F, Paschos, Odysseas, Bauer, Christoph, Maglia, Filippo, Lupart, Saskia, Lamp, Peter, Shao-Horn, Yang

“…Understanding reactions at the electrode/electrolyte interface (EEI) is essential to developing strategies to enhance cycle life and safety of lithium…”
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Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment by Filip, Marina R, Hillman, Samuel, Haghighirad, Amir Abbas, Snaith, Henry J, Giustino, Feliciano

“…The recent discovery of lead-free halide double perovskites with band gaps in the visible represents an important step forward in the design of environmentally…”
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Charge- and Size-Selective Ion Sieving Through Ti3C2Tx MXene Membranes by Ren, Chang E, Hatzell, Kelsey B, Alhabeb, Mohamed, Ling, Zheng, Mahmoud, Khaled A, Gogotsi, Yury

“…Nanometer-thin sheets of 2D Ti3C2Tx (MXene) have been assembled into freestanding or supported membranes for the charge- and size-selective rejection of ions…”
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CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector by Maculan, Giacomo, Sheikh, Arif D, Abdelhady, Ahmed L, Saidaminov, Makhsud I, Haque, Md Azimul, Murali, Banavoth, Alarousu, Erkki, Mohammed, Omar F, Wu, Tom, Bakr, Osman M

“…Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring…”
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Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model by Goodpaster, Jason D, Bell, Alexis T, Head-Gordon, Martin

“…We have carried out a periodic Kohn–Sham density functional theory investigation of the pathways by which carbon–carbon bonds could be formed during the…”
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Temperature Dependence of the Urbach Energy in Lead Iodide Perovskites by Ledinsky, Martin, Schönfeldová, Tereza, Holovský, Jakub, Aydin, Erkan, Hájková, Zdeňka, Landová, Lucie, Neyková, Neda, Fejfar, Antonín, De Wolf, Stefaan

“…To gain insight into the properties of photovoltaic and light-emitting materials, detailed information about their optical absorption spectra is essential…”
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Phosphorene: Fabrication, Properties, and Applications by Kou, Liangzhi, Chen, Changfeng, Smith, Sean C

“…Phosphorene, the single- or few-layer form of black phosphorus, was recently rediscovered as a two-dimensional layered material holding great promise for…”
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High Photoluminescence Efficiency and Optically Pumped Lasing in Solution-Processed Mixed Halide Perovskite Semiconductors by Deschler, Felix, Price, Michael, Pathak, Sandeep, Klintberg, Lina E, Jarausch, David-Dominik, Higler, Ruben, Hüttner, Sven, Leijtens, Tomas, Stranks, Samuel D, Snaith, Henry J, Atatüre, Mete, Phillips, Richard T, Friend, Richard H

“…The study of the photophysical properties of organic–metallic lead halide perovskites, which demonstrate excellent photovoltaic performance in devices with…”
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Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics by Deringer, Volker L, Bernstein, Noam, Bartók, Albert P, Cliffe, Matthew J, Kerber, Rachel N, Marbella, Lauren E, Grey, Clare P, Elliott, Stephen R, Csányi, Gábor

“…Amorphous silicon (a-Si) is a widely studied noncrystalline material, and yet the subtle details of its atomistic structure are still unclear. Here, we show…”
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The Bethe–Salpeter Equation Formalism: From Physics to Chemistry by Blase, Xavier, Duchemin, Ivan, Jacquemin, Denis, Loos, Pierre-François

“…The Bethe–Salpeter equation (BSE) formalism is steadily asserting itself as a new efficient and accurate tool in the ensemble of computational methods…”
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Light Absorption Coefficient of CsPbBr3 Perovskite Nanocrystals by Maes, Jorick, Balcaen, Lieve, Drijvers, Emile, Zhao, Qiang, De Roo, Jonathan, Vantomme, André, Vanhaecke, Frank, Geiregat, Pieter, Hens, Zeger

“…Inductively coupled plasma mass spectrometry (ICP-MS) was combined with UV–vis absorption spectroscopy and transmission electron microscopy to determine the…”
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