Work

Density-functional theory based molecular dynamics simulation of tetrahedrite thermoelectrics: Effect of cell size and basis sets

Year: 2017

Type: article

Source: Computational Materials Science

DOI: 10.1016/j.commatsci.2017.12.047

Authors: Junchao Li, Daniel P. Weller, Donald T. Morelli, Wei Lai

Institution: Michigan State University

Language: English

Topic: Advanced Thermoelectric Materials and Devices

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: National Science Foundation, U.S. Department of Energy, Michigan State University, Office of Science, Basic Energy Sciences

Awards: UNS: High performance tetrahedrite thermoelectric materials: An integrated experimental and computational approach, XSEDE: eXtreme Science and Engineering Discovery Environment, G911061179

OpenAlex ID: W2776813525

FWCI:

Cites: 37

Cited by: 3

Related to: 10