Al atom on MoO3(010) surface: adsorption and penetration using density functional theory-Reference-Cited by-同舟云学术

Al atom on MoO3(010) surface: adsorption and penetration using density functional theory

Published:2016 Issue:10 Volume:18 Page:7359-7366
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wu Hong-Zhang¹²³⁴,Bandaru Sateesh⁵⁶⁴,Wang Da⁵⁶⁴,Liu Jin¹²³⁴,Lau Woon Ming⁵⁶⁴⁷⁸,Wang Zhenling¹²³⁴,Li Li-Li⁹²³⁴

Affiliation:

1. The Key Laboratory of Rare Earth Functional Materials and Applications

2. Zhoukou Normal University

3. Zhoukou 466001

4. China

5. Beijing Computational Science Research Center

6. Beijing 100084

7. Chengdu Green Energy and Green Manufacturing Technology R&D Center

8. Chengdu Development Center of Science and Technology of CAEP

9. College of Life Science and Agronomy

Abstract

This study employs first-principle density functional theory to model Al/MoO₃ by placing an Al adatom onto a unit cell of a MoO₃(010) slab, and to probe the initiation of interfacial interactions of Al/MoO₃ nanothermite by tracking the adsorption and subsurface-penetration of the Al adatom.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP07440A

Reference47 articles.

1. Combustion Behavior of Highly Energetic Thermites: Nano versus Micron Composites

2. Fast Spectroscopy of Laser-Initiated Nanoenergetic Materials

3. Thinking big (and small) about energetic materials

4. Melt dispersion mechanism for fast reaction of aluminum nano- and micron-scale particles: Flame propagation and SEM studies

Cited by 15 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. First principles investigation of in-situ NiAl(110)/Ag(111) and NiAl(110)/MoO3(010) heterogeneous interfaces behavior in composite coatings;Surfaces and Interfaces;2024-05

2. Coalescence of Al2O3/Al, MgO/Mg, and MgO/Al two nanoparticles during combustion;Applied Surface Science;2024-03

3. Unraveling the adhesive properties, thermal stability, and initial diffusion mechanisms of Al/NiO nanothermites with various dominant surfaces: A first-principles study;Applied Surface Science;2022-11

4. Unravelling the roles of H+, Na+ and K+ cations over the self-photorechargeability of a Pt-mediated MoO3 photoanode-driven photoelectrochemical system: Experimental and DFT study;Journal of Environmental Chemical Engineering;2022-04

5. Unraveling the Adhesive Properties, Thermal Stability, and Initial Diffusion Mechanisms of Al/Nio Nanothermites with Various Dominant Surfaces: A First-Principles Study;SSRN Electronic Journal;2022