Tuning Phase Transitions in Metal Oxides by Hydrogen Doping: A First-Principles Study.

Journal

The journal of physical chemistry letters
ISSN: 1948-7185
Titre abrégé: J Phys Chem Lett
Pays: United States
ID NLM: 101526034

Informations de publication

Date de publication:
06 Feb 2020
Historique:
pubmed: 25 1 2020
medline: 25 1 2020
entrez: 25 1 2020
Statut: ppublish

Résumé

Optimizing physical or chemical properties via electronic phase transitions is important for developing high-performance semiconductor materials. Using first-principles calculations, we established hydrogen doping (H-doping) as an alternative strategy for modulating phase transitions in metal oxide semiconductors. We found that H-doping can induce an insulator-to-metal phase transition in rutile TiO

Identifiants

DOI: 10.1021/acs.jpclett.0c00097 PMID: 31973524
pubmed: 31973524
doi: 10.1021/acs.jpclett.0c00097
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

1075-1080

Auteurs

Zhaowu Wang (Z)

School of Physics and Engineering , Henan University of Science and Technology, Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications , Luoyang , Henan 471023 , China.
Hefei National Laboratory for Physical Sciences at the Microscale, CAS Center for Excellence in Nanoscience, School of Chemistry and Materials Science , University of Science and Technology of China , Hefei , Anhui 230026 , China.
National Laboratory of Solid State Microstructures , Nanjing University , Nanjing 210093 , China.
ORCID: 0000-0002-7709-2666

Xijun Wang (X)

Hefei National Laboratory for Physical Sciences at the Microscale, CAS Center for Excellence in Nanoscience, School of Chemistry and Materials Science , University of Science and Technology of China , Hefei , Anhui 230026 , China.

Edward Sharman (E)

Department of Neurology , University of California , Irvine , California 92697 , United States.

Xiyu Li (X)

Hefei National Laboratory for Physical Sciences at the Microscale, CAS Center for Excellence in Nanoscience, School of Chemistry and Materials Science , University of Science and Technology of China , Hefei , Anhui 230026 , China.

Li Yang (L)

Hefei National Laboratory for Physical Sciences at the Microscale, CAS Center for Excellence in Nanoscience, School of Chemistry and Materials Science , University of Science and Technology of China , Hefei , Anhui 230026 , China.

Guozhen Zhang (G)

Hefei National Laboratory for Physical Sciences at the Microscale, CAS Center for Excellence in Nanoscience, School of Chemistry and Materials Science , University of Science and Technology of China , Hefei , Anhui 230026 , China.
ORCID: 0000-0003-0125-9666

Jun Jiang (J)

Hefei National Laboratory for Physical Sciences at the Microscale, CAS Center for Excellence in Nanoscience, School of Chemistry and Materials Science , University of Science and Technology of China , Hefei , Anhui 230026 , China.
ORCID: 0000-0002-6116-5605

Classifications MeSH