High-throughput computational search for new inorganic proton conductors
Abstract
Short Statement of Work: New computational algorithms are developed for studies of polymorphism in single and multi-layer transition metal dichalcogenides; both kinetics and thermodynamics of 2-D phase changes are studied and tunability of surface energies and substrate interactions are examined. Approach: The approach taken to meet the objective involves developing and using computational methods. The focus is on transition metal dichalcogenides where engineered phase boundaries might be prepared via alloying strategies as well as exploiting stacking, substrate selection, temperature, strain, electrostatic potential and other possibilities. Screening will be done on combinations of monolayers to create layered materials leading to surface coatings for low or high adhesion or friction as well as for a variety of other DoD applications. Objective: The objective of this program is to understand and eventually design single and multi-layer functional materials having multiple phases that are energetically close enough to ambient conditions, and which can be crossed using device-achievable electrical, thermal, mechanical, or other stimuli.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Aug 12, 2016
- Source ID
- N000141512697
Entities
People
- Evan J Reed
Organizations
- Office of Naval Research
- Stanford University
- United States Navy