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1T‴ Transition-Metal Dichalcogenides: Strong Bulk Photovoltaic Effect for Enhanced Solar-Power Harvesting
Ai, H1; Kong, Y2; Liu, D2; Li, F2; Geng, J2; Wang, S.2,3; Lo, K. H.1; Pan, H.2,3
2020-05-21
Source PublicationJournal of Physical Chemistry C
ISSN1932-7447
Volume124Issue:20Pages:11221-11228
Abstract

Ferroelectrics is expected to be an alternative to traditional solar cells, because its bulk photovoltaic effect (BPVE) may overcome the Shockley–Queisser limit. Here, we propose that a family of polar materials without centrosymmetry, distorted 1T (1T′′′) transition-metal dichalcogenides, shows a large BPVE in the infrared and visible light due to their moderate band gaps based on density-functional-theory (DFT) calculations. We find that the BPVEs in bulks are much higher than those in monolayers because of the smaller band gaps and more delocalized valence band states. We further show that strain engineering serves as an efficient strategy to enhance the BPVE of 1T′′′-MoS2 bulk. The shift-current responses in the bulks spotlight their potential for applications into solar energy harvesting. This work provides the theoretical evidence of BPVE in 1T′′′ transition-metal dichalcogenides and guidance on the design of novel materials with an enhanced BPVE for green-energy technologies.

DOI10.1021/acs.jpcc.0c02498
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS IDWOS:000537428000047
PublisherAMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036
The Source to ArticlePB_Publication
Scopus ID2-s2.0-85087279121
Fulltext Access
Citation statistics
Document TypeJournal article
CollectionDEPARTMENT OF PHYSICS AND CHEMISTRY
INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
DEPARTMENT OF ELECTROMECHANICAL ENGINEERING
Corresponding AuthorLo, K. H.; Pan, H.
Affiliation1.Department of Electromechanical Engineering,Faculty of Science and Technology,University of Macau,999078,Macao
2.Institute of Applied Physics and Materials Engineering,University of Macau,999078,Macao
3.Department of Physics and Chemistry,Faculty of Science and Technology,University of Macau,999078,Macao
First Author AffilicationFaculty of Science and Technology
Corresponding Author AffilicationFaculty of Science and Technology;  INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Recommended Citation
GB/T 7714
Ai, H,Kong, Y,Liu, D,et al. 1T‴ Transition-Metal Dichalcogenides: Strong Bulk Photovoltaic Effect for Enhanced Solar-Power Harvesting[J]. Journal of Physical Chemistry C, 2020, 124(20), 11221-11228.
APA Ai, H., Kong, Y., Liu, D., Li, F., Geng, J., Wang, S.., Lo, K. H.., & Pan, H. (2020). 1T‴ Transition-Metal Dichalcogenides: Strong Bulk Photovoltaic Effect for Enhanced Solar-Power Harvesting. Journal of Physical Chemistry C, 124(20), 11221-11228.
MLA Ai, H,et al."1T‴ Transition-Metal Dichalcogenides: Strong Bulk Photovoltaic Effect for Enhanced Solar-Power Harvesting".Journal of Physical Chemistry C 124.20(2020):11221-11228.
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