164 citations · 647 across the 10 of their papers we have counts for
4 papers · 1 filter
Defect engineering over anisotropic brookite towards substrate-specific photo-oxidation of alcohols
S. M. Hossein Hejazi, Mahdi Shahrezaei, Piotr Błoński +11
Generally adopted design strategies for enhancing the photocatalytic activity are aimed at tuning properties such as the visible light response, the exposed crystal facets, and the…
Graphene Lattices with Embedded Transition-Metal Atoms and Tunable Magnetic Anisotropy Energy: Implications for Spintronic Devices
Rostislav Langer, Kimmo Mustonen, Alexander Markevich +3
Doping of the graphene lattice with transition metal atoms resulting in high magnetic anisotropy energy (MAE) is an important goal of materials research owing to its potential appl…
Band Gaps and Optical Spectra from Single- and Double-Layer Fluorographene to Graphite Fluoride: Many-Body Effects and Excitonic States
František Karlický, Michal Otyepka
We compare first-principle band gaps and optical absorption spectra of single- and double-layer fluorographene with bulk graphite fluoride. The electronic properties are calculated…
Band gaps and structural properties of graphene halides and their derivates: A hybrid functional study with localized orbital basis sets
František Karlický, Radek Zbořil, Michal Otyepka
DFT calculations of the electronic structure of graphane and stoichiometrically halogenated graphene derivatives (fluorographene and other analogous graphene halides) show (i) loca…