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The Journal of Physical Chemistry Letters|February 14, 2022
Tuning Nitrate Electroreduction Activity via an Equilibrium Adsorption Strategy: A Computational StudyLei Yang, Shenghua Feng, Weihua ZhuJournal of Hazardous Materials|December 9, 2022
Novel honeycomb-like metal organic frameworks as multifunction electrodes for nitrate degradation: A computational studyLei Yang, Shenghua Feng, Weihua ZhuLangmuir : the ACS Journal of Surfaces and Colloids|October 19, 2021
Using a Thin ZnO Film as an Intermediate Layer to Tune the Performance of Mg-Based Nanolaminates: A First-Principles StudyShenghua Feng, Weihua ZhuACS Applied Materials & Interfaces|June 12, 2026
Atomic-Scale Origin of Facet- and Fuel-Dependent Interfacial Evolution in Al/Mg-CuO NanothermitesShenghua Feng, Weifeng Zhang, Ying Zhao, et al.Langmuir : the ACS Journal of Surfaces and Colloids|May 30, 2026
Theoretical Study of Graphene as a Diffusion Barrier in Metal-Based Nanoenergetic FilmsShenghua Feng, Weifeng Zhang, Qingyan Li, et al.Physical Chemistry Chemical Physics : PCCP|April 28, 2023
Single silicon-doped CNT as a metal-free electrode for robust nitric oxide reduction utilizing a Lewis base site: an ingenious electronic "Reflux-Feedback" mechanismLei Yang, Jiake Fan, Weihua ZhuMolecules (Basel, Switzerland)|December 23, 2022
Effects of Cocrystallization on the Structure and Properties of Melt-Cast Explosive 2,4-Dinitroanisole: A Computational StudyDefu Wang, Lei Yang, Weihua ZhuJournal of Molecular Modeling|November 24, 2023
Copper monatomic wire supported on graphene nanoribbons as an electrocatalyst for nitric oxide reduction: pre-adsorption mechanism of reactantLei Yang, Jiake Fan, Weihua ZhuPhysical Chemistry Chemical Physics : PCCP|September 29, 2023
Theoretical insight into the essential role of charged surface for ammonia synthesis: Si-decorated carbon nitride electrodeLei Yang, Jiake Fan, Weihua ZhuJournal of Molecular Graphics & Modelling|June 28, 2023
Single Pd-doped arsenene coordinated with nitrogen atoms as an electrocatalyst for effective chlorine evolution reaction: DFT and machine learning studiesJiake Fan, Lei Yang, Weihua ZhuPageof 612