Spin-Driven Chemistry in Variational Dirac Space
Abstract
Spin-based science and technology take on ever-increasing roles in material design as scientists and engineers seek to utilize and manipulate spins to process quantum information, to develop new classes of photocatalysts, and to maximize the quantum yield of solar cells. Fundamental to these scientific and technological applications are the spin-dependent many-electron processes, such intersystem crossing between different spin states, spontaneous magnetism in molecules and nanomaterials. The challenge underlying these spin processes is a detailed understanding of spin-dependent electronic structures and molecular-material response to internal (e.g., spin couplings) and external perturbations (e.g., applied electromagnetic field). The main objective of the proposed research is to advance practical applications using the variational Dirac equation to resolve high-impact scientific challenges in spin-drive chemistry, including intersystem crossing dynamics in transition-metal complexes, X-ray emission spectroscopy, and nanomagnetism in diluted magnetic semiconductor nanocrystals.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Mar 07, 2023
- Source ID
- FA95502110344
Entities
People
- Xiaosong Li
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- University of Washington