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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Thiophene-Tetrathia-Annulene monolayer (TTA-2D): A new 2D semiconductor material with indirect bandgap

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Author(s):
Tromer, Raphael M. [1, 2] ; Machado, Leonardo D. [3] ; Woellner, Cristiano F. [4] ; Galvao, Douglas S. [1]
Total Authors: 4
Affiliation:
[1] Univ Estadual Campinas, Appl Phys Dept, BR-13083970 Campinas, SP - Brazil
[2] Univ Estadual Campinas, Ctr Computat Engn & Sci, Campinas - Brazil
[3] Univ Fed Rio Grande do Norte, Dept Fis Teor & Expt, BR-59072970 Natal, RN - Brazil
[4] Univ Fed Parana, Phys Dept, UFPR, BR-81531980 Curitiba, Parana - Brazil
Total Affiliations: 4
Document type: Journal article
Source: PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES; v. 129, MAY 2021.
Web of Science Citations: 2
Abstract

We propose a new 2D semiconductor material (TTA-2D) based on the molecular structure of ThiopheneTetrathia-Annulene (TTA). The TTA-2D structural, electronic, and optical properties were investigated ab initio methods. Our results show that TTA-2D is a small indirect bandgap semiconductor (0.6 semiconductor-metal transition can be induced by applying a uniaxial strain. Our results also show that is thermally stable up to T = 1000 K. TTA-2D absorbs in a large spectral range, from infrared to ultraviolet regions. Values of refractive index and reflectivity show that TTA-2D reflects only 10% of the incident light visible region. These results suggest that TTA-2D is a promising material for solar cell applications. (AU)

FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC