Topological insulators (TI) hold significant potential for various electronic and optoelectronic devices that rely on the Dirac surface state (DSS), including spintronic and thermoelectric devices, as well as terahertz detectors. The beh...
Beilstein Journal of Organic Chemistry 20 570-577 2024年3月
We theoretically analyze possible multiple conformations of protein molecules immobilized by 1-pyrenebutanoic acid succinimidyl ester (PASE) linkers on graphene. The activation barrier between two bi-stable conformations exhibited by PASE is confi...
Martensitic crystal structures are usually obtained by rapid thermal quenching of certain alloys, which induces stress and subsequent shear deformation. Here, we demonstrate that it is also possible to intentionally excite a suitable tra...
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 42(37) 23691-23697 2017年9月 [査読有り]
We investigated the minimum energy pathways and energy barriers of reversible reaction (V-111 + H-2 <-> V-221) based upon calculations using density functional theory. We find a comparable activation barrier of around 1.3 eV for both the dis...
" target="_blank">Magnetic correlation effects by the topological zero mode in a hydrogenated graphene vacancy
Electron correlation effects caused by the topological zero mode of a<br />
hydrogenated graphene vacancy, , with three adsorbed hydrogen atoms is<br />
discussed theoretically. A Kondo model is derived from the multi-reference<br />
repr...
correlation in the cuprate superconductors --- bilayer vs single layer" target="_blank">Orbital mixture effect on the Fermi surface- correlation in the cuprate superconductors --- bilayer vs single layer
By constructing two-orbital models from first<br />
principles, we have obtained a systematic correlation between the Fermi surface<br />
warping and the evaluated for various bilayer as well as single-layer<br />
cupra...