Density functional theory study of high-energy metal (Al, Mg, Ti, and Zr)/CuO composites-Reference-Cited by-同舟云学术

Density functional theory study of high-energy metal (Al, Mg, Ti, and Zr)/CuO composites

Published:2016 Issue:93 Volume:6 Page:90206-90211
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Xiong Guolin¹²³⁴,Yang Chunhong¹²³⁴,Zhu Weihua¹²³⁴,Xiao Heming¹²³⁴

Affiliation:

1. Institute for Computation in Molecular and Materials Science and Department of Chemistry

2. Nanjing University of Science and Technology

3. Nanjing 210094

4. China

Abstract

We investigated the geometric and electronic structures and stability of high-energy metal metastable intermolecular composites (Al, Mg, Ti, and Zr)/CuO(111) between metal layers and a CuO(111) substrate by density functional theory.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA18326C

Reference39 articles.

1. Nanoenergetic Materials for MEMS: A Review

2. Development of a nano-Al∕CuO based energetic material on silicon substrate

3. Gram-Scale Synthesis of Cu2O Nanocubes and Subsequent Oxidation to CuO Hollow Nanostructures for Lithium-Ion Battery Anode Materials

4. Nearly Monodisperse Cu2O and CuO Nanospheres: Preparation and Applications for Sensitive Gas Sensors

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Precisely regulating combustion and ectrostatic discharge safety properties of Al/CuO nanothermite by inserting g-C3N4 nanosheet;Applied Surface Science;2024-07

2. Initial stage of titanium oxidation in Ti/CuO thermites: a molecular dynamics study using ReaxFF forcefields;Physical Chemistry Chemical Physics;2023

3. Improving Combustion and Ectrostatic Discharge Safety Properties of Al/Cuo Nanothermite By the Precise Interface Regulation Of G-C3n4 Nanosheet;2023

4. Using a Thin ZnO Film as an Intermediate Layer to Tune the Performance of Mg-Based Nanolaminates: A First-Principles Study;Langmuir;2021-10-19

5. Ab initio molecular dynamics studies on the transport mechanisms of oxygen atoms in the adiabatic reaction of Al/CuO nanothermite;Chemical Physics Letters;2020-04