Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study-Reference-Cited by-同舟云学术

Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study

Published:2022 Issue:17 Volume:24 Page:9990-9997
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bafekry A.¹²^ORCID,Fadlallah M. M.³^ORCID,Faraji M.⁴^ORCID,Shafique A.⁵^ORCID,Jappor H. R.⁶,Abdolhoseini Sarsari I.⁷^ORCID,Ang Yee Sin⁸^ORCID,Ghergherehchi M.⁹

Affiliation:

1. Department of Physics, University of Guilan, Rasht 41335-1914, Iran

2. Department of Physics, Rasht Branch, Islamic Azad University, Rasht, Iran

3. Department of Physics, Faculty of Science, Benha University, 13518 Benha, Egypt

4. Micro and Nanotechnology Graduate Program, TOBB University of Economics and Technology, Sogutozu Caddesi No 43 Sogutozu, 06560, Ankara, Turkey

5. Department of Physics, Lahore University of Management Sciences, Lahore, Pakistan

6. Department of Physics, College of Education for Pure Sciences, University of Babylon, Hilla, Iraq

7. Department of Physics, Isfahan University of Technology, Isfahan, 84156-83111, Iran

8. Science, Mathematics and Technology (SMT) Cluster, Singapore University of Technology and Design, 487372, Singapore

9. Department of Electrical and Computer Engineering, Sungkyunkwan University, 16419 Suwon, Korea

Abstract

Low-symmetry penta-PdPSe nanosheet is computationally studied using first-principle calculations. Penta-PdPSe is predicted to be an excellent 2D materials with excellent visible light absorption, water splitting and thermoelectric performance.

Funder

National Research Foundation of Korea

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04328E

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3. Electronic and magnetic properties of two-dimensional of FeX (X = S, Se, Te) monolayers crystallize in the orthorhombic structures