Theoretical design of a technetium-like alloy and its catalytic properties-Reference-Cited by-同舟云学术

Theoretical design of a technetium-like alloy and its catalytic properties

Published:2019 Issue:21 Volume:10 Page:5461-5469
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Xie Wei¹²³⁴^ORCID,Koyama Michihisa¹²³⁴⁵^ORCID

Affiliation:

1. INAMORI Frontier Research Center

2. Kyushu University

3. Fukuoka

4. Japan

5. Graduate School of Engineering

Abstract

Based on the concept of density of states (DOS) engineering, we theoretically designed a pseudo-Tc material (Mo–Ru alloy) and investigated its electronic structure, phase stability and catalytic activity by using density functional theory.

Funder

Japan Science and Technology Agency

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/SC/C9SC00912D

Reference49 articles.

1. Technetium : The Element of Atomic Number 43

2. Technetium Incorporation into Hematite (α-Fe2O3)

3. Oxidation of Technetium Metal as Simulated by First Principles

4. Surface segregation and adsorption effects of iron–technetium alloys from first-principles

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