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Journal of Chemical Theory and Computation|December 4, 2023
Interlayer Charge Transport in 2D Lead Halide Perovskites from First PrinciplesWei Li, Samuele Giannini, Claudio Quarti, et al.
Science and Technology of Advanced Materials|August 15, 2017
MDTS: automatic complex materials design using Monte Carlo tree searchThaer M Dieb, Shenghong Ju, Kazuki Yoshizoe, et al.
ACS Omega|May 13, 2022
Charge Compensation Mechanisms and Oxygen Vacancy Formations in LiNi<sub>1/3</sub>Co<sub>1/3</sub>Mn<sub>1/3</sub>O<sub>2</sub>: First-Principles CalculationsXiao-Hong Shi, Ya-Ping Wang, Xinrui Cao, et al.
ACS Applied Materials & Interfaces|June 23, 2022
Li<sub>8</sub>MnO<sub>6</sub>: A Novel Cathode Material with Only Anionic RedoxNingjing Luo, Lianggang Feng, Huimin Yin, et al.
Nano Letters|September 11, 2025
Atomistic Mechanism of Defect Self-Passivation in Metal Halide PerovskitesPingzhi Zhang, Elizabeth Stippell, Yanhong Chen, et al.
ACS Applied Materials & Interfaces|December 17, 2021
Weak Anharmonicity Rationalizes the Temperature-Driven Acceleration of Nonradiative Dynamics in Cu<sub>2</sub>ZnSnS<sub>4</sub> PhotoabsorbersPingzhi Zhang, Zhufeng Hou, Li Jiang, et al.
The Journal of Physical Chemistry Letters|December 27, 2022
Mixed Sulfur/Selenium Anions Weaken Electron-Vibrational Interaction in Cu<sub>2</sub>ZnSn(S,Se)<sub>4</sub> PhotoabsorberPingzhi Zhang, Bojun Chang, Ting Xue, et al.
ACS Applied Materials & Interfaces|January 1, 2020
Identifying the Lewis Base Chemistry in Preventing the Deposition of Metal Oxides on Ketone-Enriched Carbon Cathodes for Highly Durable Metal-Air BatteriesHaoqing Ji, Mengfan Wang, Sisi Liu, et al.
Science and Technology of Advanced Materials|December 7, 2019
Unveiling the principle descriptor for predicting the electron inelastic mean free path based on a machine learning frameworkXun Liu, Zhufeng Hou, Dabao Lu, et al.
The Journal of Physical Chemistry Letters|November 24, 2020
Elucidating the Influence of Sulfur Vacancies on Nonradiative Recombination Dynamics in Cu<sub>2</sub>ZnSnS<sub>4</sub> Solar AbsorbersZhi Chen, Ping-Zhi Zhang, Yu Zhou, et al.
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