Weihua Zhu

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 14

Top Topics

Carbon Nanotubes

Room Temperature

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

Journal of molecular modeling

The journal of physical chemistry. A

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Faiza Shafiq, Lei Yang, Weihua Zhu
Recent progress in the advanced strategies, rational design, and engineering of electrocatalysts for nitrate reduction toward ammonia. Physical chemistry chemical physics : PCCP (2024)
Faiza Shafiq, Lei Yang, Weihua Zhu
Recent progress in the advanced strategies, rational design, and engineering of electrocatalysts for nitrate reduction toward ammonia. Physical chemistry chemical physics : PCCP 26 (15) (2024)
Lei Yang, Jiake Fan, Weihua Zhu
Single silicon-doped CNT as a metal-free electrode for robust nitric oxide reduction utilizing a Lewis base site: an ingenious electronic "Reflux-Feedback" mechanism. Physical chemistry chemical physics : PCCP 25 (18) (2023)
Lei Yang, Jiake Fan, Weihua Zhu
Single silicon-doped CNT as a metal-free electrode for robust nitric oxide reduction utilizing a Lewis base site: an ingenious electronic "Reflux-Feedback" mechanism. Physical chemistry chemical physics : PCCP (2023)
Lei Yang, Jiake Fan, Weihua Zhu
Single silicon-doped CNT as a metal-free electrode for robust nitric oxide reduction utilizing a Lewis base site: an ingenious electronic "Reflux-Feedback" mechanism. Physical chemistry chemical physics : PCCP 25 (18) (2023)
Lei Yang, Jiake Fan, Weihua Zhu
Theoretical insight into the essential role of charged surface for ammonia synthesis: Si-decorated carbon nitride electrode. Physical chemistry chemical physics : PCCP (2023)
Li Tang, Weihua Zhu
Thermal decomposition mechanisms of energetic CL-20-based co-crystals: quantum molecular dynamics simulations. Journal of molecular modeling 28 (10) (2022)
Lei Yang, Shenghua Feng, Weihua Zhu
Tuning Nitrate Electroreduction Activity via an Equilibrium Adsorption Strategy: A Computational Study. The journal of physical chemistry letters 13 (7) (2022)
Xiaowei Wu, Zhichao Liu, Weihua Zhu
Cis-Trans Isomerization and Thermal Decomposition Mechanisms of a Series of Nx (x = 4, 8, 10, 11) Chain-Catenated Energetic Crystals. The journal of physical chemistry. A 125 (14) (2021)
Shenghua Feng, Weihua Zhu
Using a Thin ZnO Film as an Intermediate Layer to Tune the Performance of Mg-Based Nanolaminates: A First-Principles Study. Langmuir : the ACS journal of surfaces and colloids 37 (43) (2021)
Raza Ullah Khan, Weihua Zhu
Computer-aided design and property prediction of novel insensitive high-energy heterocycle-substituted derivatives of cage NNNAHP. Journal of molecular modeling 26 (9) (2020)
Raza Ullah Khan, Weihua Zhu
Computational insight into polynitromethyl- and polydifluoroaminomethyl-substituted energetic derivatives of 2,3-dihydro pyrazino [2,3-e] [1, 2, 3, 4] tetrazine. Journal of molecular modeling 26 (4) (2020)
Raza Ullah Khan, Simin Zhu, Weihua Zhu
DFT studies on nitrogen-rich pyrazino [2, 3-e] [1, 2, 3, 4] tetrazine-based high-energy density compounds. Journal of molecular modeling 25 (9) (2019)
Yong Pan, Weihua Zhu
Theoretical Design on a Series of Novel Bicyclic and Cage Nitramines as High Energy Density Compounds. The journal of physical chemistry. A 121 (47) (2017)