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Machine Learning Force Fields: Construction, Validation, and OutlookV. Botu, R. Batra, J. Chapman, R. RamprasadPublication Date (Web): December 7, 2016 (Article)DOI: 10.1021/acs.jpcc.6b10908

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Computational 2D Materials Database: Electronic Structure of Transition-MetalDichalcogenides and OxidesFilip A. Rasmussen, Kristian S. ThygesenPublication Date (Web): April 30, 2015 (Article)DOI: 10.1021/acs.jpcc.5b02950



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Highly Efficient and Stable Perovskite Solar Cells by Interfacial Engineering UsingSolution-Processed Polymer LayerFeijiu Wang, Ai Shimazaki, Fengjiu Yang, Kaito Kanahashi, Keiichiro Matsuki, Yuhei Miyauchi, Taishi Takenobu,Atsushi Wakamiya, Yasujiro Murata, Kazunari MatsudaPublication Date (Web): January 10, 2017 (Article)DOI: 10.1021/acs.jpcc.6b12137



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van der Waals Volumes and RadiiA. BondiPublication Date: March 1964 (Article)DOI: 10.1021/j100785a001

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Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like StructureC. Ataca, H. Şahin, and S. CiraciPublication Date (Web): March 23, 2012 (Article)DOI: 10.1021/jp212558p

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Recent Progress in Cancer Thermal Therapy Using Gold NanoparticlesNardine S. Abadeer, Catherine J. MurphyPublication Date (Web): February 9, 2016 (Review Article)DOI: 10.1021/acs.jpcc.5b11232

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Li/Li7La3Zr2O12/LiFePO4 All-Solid-State Battery with Ultrathin Nanoscale Solid ElectrolyteXufeng Yan, Zhuobin Li, Zhaoyin Wen, Weiqiang HanPublication Date (Web): January 2, 2017 (Article)DOI: 10.1021/acs.jpcc.6b10268

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Multiexciton Lifetime in All-Inorganic CsPbBr3 Perovskite NanocrystalsElinore M. L. D. de Jong, Genki Yamashita, Leyre Gomez, Masaaki Ashida, Yasufumi Fujiwara, and TomGregorkiewiczPublication Date (Web): December 26, 2016 (Article)DOI: 10.1021/acs.jpcc.6b10551



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Effect of Si/Al Ratio and Rh Precursor Used on the Synthesis of HY Zeolite-SupportedRhodium Carbonyl Hydride ComplexesKonstantin Khivantsev, Artem Vityuk, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Oleg S. Alexeev, andMichael D. AmiridisPublication Date (Web): June 30, 2015 (Article)DOI: 10.1021/acs.jpcc.5b03969

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Structure of Gold–Silver NanoparticlesIan J. Godfrey, Andrew J. Dent, Ivan P. Parkin, Shinya Maenosono, Gopinathan SankarPublication Date (Web): January 4, 2017 (Article)DOI: 10.1021/acs.jpcc.6b11186



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Modulated III–V Triple-Junction Solar Cell Wireless Device for Efficient Water SplittingShinya Okamoto, Masahiro Deguchi, Satoshi YotsuhashiPublication Date (Web): January 6, 2017 (Article)DOI: 10.1021/acs.jpcc.6b07991



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Low Density of Conduction and Valence Band States Contribute to the High Open-CircuitVoltage in Perovskite Solar CellsYecheng Zhou, Guankui LongPublication Date (Web): January 4, 2017 (Article)DOI: 10.1021/acs.jpcc.6b10914



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Thermally Activated Delayed Fluorescence Behavior Investigation in the Different Polarity Abstract | Supporting Info







































Acceptor and Donor MoleculesJoon Beom Im, Raju Lampande, Gyeong Heon Kim, Ju Young Lee, and Jang Hyuk KwonPublication Date (Web): December 14, 2016 (Article)DOI: 10.1021/acs.jpcc.6b10854


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Mechanism of Oxygen Reduction in Aprotic Li–Air Batteries: The Role of Carbon ElectrodeSurface StructureAlina I. Belova, David G. Kwabi, Lada V. Yashina, Yang Shao-Horn, and Daniil M. ItkisPublication Date (Web): January 2, 2017 (Article)DOI: 10.1021/acs.jpcc.6b12221



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First-Principle Determination of Electronic Coupling and Prediction of ChargeRecombination Rates in Dye-Sensitized Solar CellsHsien-Hsin Chou, Chou-Hsun Yang, Jiann T’suen Lin, Chao-Ping HsuPublication Date (Web): December 14, 2016 (Article)DOI: 10.1021/acs.jpcc.6b08553



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Photocatalytic Activity of g-C3N4 Quantum Dots in Visible Light: Effect of PhysicochemicalModificationsArkamita Bandyopadhyay, Dibyajyoti Ghosh, Nisheal M. Kaley, and Swapan K. PatiPublication Date (Web): January 4, 2017 (Article)DOI: 10.1021/acs.jpcc.6b11520



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Observation of Charge Transfer in Heterostructures Composed of MoSe2 Quantum Dotsand a Monolayer of MoS2 or WSe2Shrawan Roy, Guru P. Neupane, Krishna P. Dhakal, Jubok Lee, Seok Joon Yun, Gang Hee Han, and JeongyongKimPublication Date (Web): January 3, 2017 (Article)DOI: 10.1021/acs.jpcc.6b11778



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Rational Design of a Low-Cost, High-Performance Metal–Organic Framework for HydrogenStorage and Carbon CaptureMatthew Witman, Sanliang Ling, Andrzej Gladysiak, Kyriakos C. Stylianou, Berend Smit, Ben Slater, MaciejHaranczykPublication Date (Web): December 16, 2016 (Article)DOI: 10.1021/acs.jpcc.6b10363



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Structural Stabilities and Electronic Properties of High-Angle Grain Boundaries inPerovskite Cesium Lead HalidesYaguang Guo, Qian Wang, and Wissam A. SaidiPublication Date (Web): January 3, 2017 (Article)DOI: 10.1021/acs.jpcc.6b11434



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Large-Scale Synthesis of Graphene-Like MoSe2 Nanosheets for Efficient HydrogenEvolution ReactionChu Dai, Zhaoxin Zhou, Chen Tian, Yong Li, Chao Yang, Xueyun Gao, and Xike TianPublication Date (Web): January 2, 2017 (Article)DOI: 10.1021/acs.jpcc.6b11423



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