Open AccessElectron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory
Author(s) -
Christian S. Ahart,
Kevin M. Rosso,
Jochen Blumberger
Publication year - 2022
Publication title -
journal of the american chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.115
H-Index - 612
eISSN - 1520-5126
pISSN - 0002-7863
DOI - 10.1021/jacs.1c13507
Subject(s) - delocalized electron , chemistry , polaron , electron mobility , chemical physics , density functional theory , condensed matter physics , fermi level , electron localization function , hematite , charge carrier , electron , computational chemistry , physics , mineralogy , organic chemistry , quantum mechanics
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom