Tuning Coupled Dynamics of Electrons and Phonons in MoS2 with Strain, Substrate and Electrodes
Abstract
In this project, we have addressed fundamental aspects of (a) ferroelectricity originating from electron-phonon coupling in the 1T phase of MoS2 and related transition metal chalcogenides, and (b) stabilization and tunability of their 1T phase itself with strain. We also analyzed properties and potential of 2-D materials for applications in photo-catalysis of water splitting reactions, in catalysis of oxygen reduction reactions and in Mg-batteries. Motivated by tuning of their properties, we have come up with prediction of two novel 2-D materials: (i) h-NbN, which has been shown to be suitable for use in photo-voltaic cell as well as in photo-catalysis of water splitting; and (ii) monolayer of V-porphyrin, which has been shown to be a 2-D half-metallic ferromagnet suitable for spintronic applications. We have shown how the catalytic properties of 2-D materials can be tuned with substitutional alloying (e.g. BCN, GaS) and through covalent functionalization. We collaborated with engineers and have developed a computational method to determine mechanisms of thermal transport in terms of phonons. Our work led to fruitful collaborations with researchers in Temple University, Purdue University and with experimentalists at JNCASR and at the Indian Institute of Science, Bangalore. The funding forthis project supported one UG student, 2 visiting PhD students and two post-doctoral fellows over a period of 3 years. It has resulted in publication of a book, two chapters in a book, 7 research papers and 3 preprints on the ongoing work.
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 10, 2018
- Accession Number
- AD1057185
Entities
People
- Umesh Waghmare
Organizations
- Jawaharlal Nehru Centre for Advanced Scientific Research