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Physical Chemistry Chemical Physics : PCCP|January 31, 2025
Advancing band structure simulations of complex systems of C, Si and SiC: a machine learning driven density functional tight-binding approachGuozheng Fan, Yu Jing, Thomas Frauenheim
The Journal of Physical Chemistry Letters|October 21, 2022
Obtaining Electronic Properties of Molecules through Combining Density Functional Tight Binding with Machine LearningGuozheng Fan, Adam McSloy, Bálint Aradi, et al.
Small (Weinheim an Der Bergstrasse, Germany)|September 23, 2020
Modulation of Disordered Coordination Degree Based on Surface Defective Metal-Organic Framework Derivatives toward Boosting Oxygen Evolution ElectrocatalysisXinyue Zheng, Gan Jia, Guozheng Fan, et al.
Journal of Chemical Theory and Computation|June 23, 2023
Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of StatesWenbo Sun, Guozheng Fan, Tammo van der Heide, et al.
Angewandte Chemie (International Ed. in English)|September 5, 2017
Three-Dimensional Hierarchical Architectures Derived from Surface-Mounted Metal-Organic Framework Membranes for Enhanced ElectrocatalysisGan Jia, Wen Zhang, Guozheng Fan, et al.
Small (Weinheim an Der Bergstrasse, Germany)|April 15, 2018
Interfacial Engineering of Hierarchical Transition Metal Oxide Heterostructures for Highly Sensitive Sensing of Hydrogen PeroxideWen Zhang, Guozheng Fan, Huan Yi, et al.
Inorganic Chemistry|September 21, 2020
Facilitating Phase Evolution for a High-Energy-Efficiency, Low-Cost O3-Type NaCu0.18Fe0.3Mn0.52O2 Sodium Ion Battery CathodeHongwei Fu, Guozheng Fan, Jiang Zhou, et al.
Iscience|March 25, 2019
Interfacial Effects on the Band Edges of Ta3N5 Photoanodes in an Aqueous Environment: A Theoretical ViewGuozheng Fan, Tao Fang, Xin Wang, et al.
Chemical Science|February 17, 2022
Synergetic stability enhancement with magnesium and calcium ion substitution for Ni/Mn-based P2-type sodium-ion battery cathodesHongwei Fu, Yun-Peng Wang, Guozheng Fan, et al.
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