Structure, Thermodynamics, and Raman Spectroscopy of Rhenium-Doped Bulk MoS 2 from First Principles

Guerrero, Enrique; Strubbe, David A.

doi:10.1021/acs.jpcc.2c03999

Structure, Thermodynamics, and Raman Spectroscopy of Rhenium-Doped Bulk MoS ₂ from First Principles

Journal Article · 20 October 2022 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.2c03999· OSTI ID:2423101

Guerrero, Enrique ^[1]; ^[1]

Department of Physics, University of California, Merced, Merced, California95343, United States

Not provided.

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC02-05CH11231

OSTI ID:: 2423101

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 43 Vol. 126; ISSN 1932-7447

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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Structure, Thermodynamics, and Raman Spectroscopy of Rhenium-Doped Bulk MoS ₂ from First Principles