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Revealing the role of ripples in phonon modes for MoS 2 and MoSe 2 : insights from molecular dynamics and machine learning
Interatomic potentials for single-layer MoS2and MoSe2were developed by training an artificial neural network with a reference data set generated using density functional theory.
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- Award ID(s):
- 2152159
- PAR ID:
- 10611077
- Publisher / Repository:
- Royal Society of Chemistry
- Date Published:
- Journal Name:
- Physical Chemistry Chemical Physics
- ISSN:
- 1463-9076
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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