Structure and Energetics of (111) Surface of γ-Al2O3: Insights from DFT Including Periodic Boundary Approach-Reference-Cited by-同舟云学术

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Structure and Energetics of (111) Surface of γ-Al2O3: Insights from DFT Including Periodic Boundary Approach

Published:2018-02-13 Issue:2 Volume:3 Page:1881-1888
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Gu Jiande¹²,Wang Jing¹,Leszczynski Jerzy¹^ORCID

Affiliation:

1. Interdisciplinary Nanotoxicity Center, Department of Chemistry, Physics and Atmospheric Sciences, Jackson State University, Jackson, Maryland 39217, United States

2. Drug Design & Discovery Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China

Funder

Office of Naval Research

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.7b01921

Reference30 articles.

1. A high degree of enhancement of strength of sputter deposited Al/Al2O3 multilayers upon post annealing

2. Optimal Water Coverage on Alumina: A Key to Generate Lewis Acid-Base Pairs that are Reactive Towards the CH Bond Activation of Methane

3. Use of DFT to achieve a rational understanding of acid?basic properties of ?-alumina surfaces

4. Hydroxyl Groups on γ-Alumina Surfaces: A DFT Study

5. Ab initiostudy ofγ−Al2O3surfaces

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4. First-principles calculations of γ-Al2O3/Al interfaces;Acta Materialia;2023-06

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