Lattice dynamic stability and electronic structures of ternary hydrides La1−xYxH3via first-principles cluster expansion-Reference-Cited by-同舟云学术

Lattice dynamic stability and electronic structures of ternary hydrides La_1−xY_xH₃via first-principles cluster expansion

Published:2022 Issue:41 Volume:12 Page:26808-26814
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Tsuppayakorn-aek Prutthipong¹²^ORCID,Sukmas Wiwittawin¹²,Pluengphon Prayoonsak³^ORCID,Inceesungvorn Burapat⁴^ORCID,Phansuke Piya⁵,Kaewtubtim Pungtip⁵,Ahuja Rajeev⁶⁷^ORCID,Bovornratanaraks Thiti¹²^ORCID,Luo Wei⁶^ORCID

Affiliation:

1. Extreme Conditions Physics Research Laboratory and Center of Excellence in Physics of Energy Materials (CE:PEM), Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand

2. Thailand Center of Excellence in Physics, Ministry of Higher Education, Science, Research and Innovation, 328 Si Ayutthaya Road, Bangkok 10400, Thailand

3. Division of Physical Science, Faculty of Science and Technology, Huachiew Chalermprakiet University, Samutprakarn 10540, Thailand

4. Department of Chemistry, Center of Excellence in Materials Science and Technology and Materials Science Research Centre, Faculty of Science, Chiang Mai University, Chiang Mai, 50200, Thailand

5. Department of Science, Faculty of Science and Technology, Prince of Songkla University, Pattani, 94000, Thailand

6. Materials Theory, Department of Physics and Materials Science, Uppsala University, Box 530, SE-751 21, Uppsala, Sweden

7. Department of Physics, Indian Institute of Technology (IIT) Ropar, Rupnagar 140001, Punjab, India

Abstract

Lanthanum hydride compound LaH3 become stabilized by yttrium substitution under the influence of moderate pressure.

Funder

National Research Council of Thailand

Chulalongkorn University

Vetenskapsrådet

Chiang Mai University

J. Gustaf Richert Stiftelse

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA03194A

Reference56 articles.

1. High-pressure phases induce H-vacancy diffusion kinetics in TM-doped MgH2: Ab initio study for hydrogen storage improvement

2. Pressure-induced structural stability of alkali trihydrides and H2-desorption occurrence: Ab initio study for hydrogen storage improvement

3. Formation of Lightweight Ternary Polyhydrides and Their Hydrogen Storage Mechanism

4. Hydrogen effects on the thermal conductivity of delocalized vibrational modes in amorphous silicon nitride (a−SiNx:H)

5. Techno-economic evaluation on a hybrid technology for low hydrogen concentration separation and purification from natural gas grid

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