@article{oai:repo.qst.go.jp:00047925,
 author = {アヴラモフ, パベル and パベル, ソロキン and A., Kuzubov A. and 境, 誠司 and 圓谷, 志郎 and 楢本, 洋 and アヴラモフ パベル and パベル ソロキン and 境 誠司 and 圓谷 志郎 and 楢本 洋},
 issue = {7},
 journal = {Australian Journal of Chemistry},
 month = {Nov},
 note = {Extreme points on potential energy surfaces of Ni adatom on free-standing graphene and top:fcc and hcp:fcc graphene/Ni(111) heterostructures in ifferent spin states were studied using periodic boundary conditions density unctional theory approach. It was found that the spin states of the substrates strongly influence the energy of the Ni adatom extreme points on potential energy surface by decreasing (top:fcc heterostructure) or increasing (hcp:fcc heterostructure) the total energies of Z1, Z10, and Z2 Ni adatom coordinations on graphene. This phenomenon offers unique possibilities to control the potential energy surfaces of transition metal adatoms and promote surface chemical reactions using induced spin polarization of graphene substrates.},
 pages = {753--758},
 title = {Prospects of Spin Catalysis on Spin-Polarized Graphene Heterostructures},
 volume = {69},
 year = {2016}
}