Effects of Mo alloying on stability and diffusion of hydrogen in the Nb16H phase: a first-principles investigation-Reference-Cited by-同舟云学术

Effects of Mo alloying on stability and diffusion of hydrogen in the Nb16H phase: a first-principles investigation

Published:2019 Issue:34 Volume:9 Page:19495-19500
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Wang Dianhui¹²³⁴^ORCID,Wu Yang¹²³⁴,Wan Zhenzhen¹²³⁴,Wang Feng¹²³⁴,Wang Zhongmin¹²³⁴⁵,Hu Chaohao¹²³⁴⁵^ORCID,Wang Xiaotian⁶⁷⁸⁴^ORCID,Zhou Huaiying¹²³⁴⁵

Affiliation:

1. School of Materials Science and Engineering

2. Guilin University of Electronic Technology

3. Guilin 541004

4. P. R. China

5. Guangxi Key Laboratory of Information Materials

6. School of Physical Science and Technology

7. Southwest University

8. Chongqing 400715

Abstract

First-principles calculations and climbing-image nudged elastic band method were used to investigate the effects of Mo alloying on the structural stability, mechanical properties, and hydrogen-diffusion behavior of Nb.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Guangxi Province

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/RA/C9RA03401C

Reference42 articles.

1. Membrane reactor application to hydrogen production

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5. Analysis of pressure–composition–isotherms for design of non-Pd-based alloy membranes with high hydrogen permeability and strong resistance to hydrogen embrittlement

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