skip to main content

Title: Solid-state dimer method for calculating solid-solid phase transitions

Authors:
; ; ;
Publication Date:
OSTI Identifier:
1161982
DOE Contract Number:
SC0001091
Resource Type:
Journal Article
Resource Relation:
Journal Name: J. Chem. Phys.; Journal Volume: 140; Related Information: CST partners with University of Texas at Austin (lead); Sandia National Laboratories
Research Org:
Energy Frontier Research Centers (EFRC); Understanding Charge Separation and Transfer at Interfaces in Energy Materials (CST)
Sponsoring Org:
USDOE SC Office of Basic Energy Sciences (SC-22)
Country of Publication:
United States
Language:
English
Subject:
solar (photovoltaic), phonons, energy storage (including batteries and capacitors), defects, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)