Spin polarized electronic transport and photocurrent in chiral methionine molecule via magnetic tunnel junction model from first principles

Y Xu, X Han, Y Xiao, Y Wang… - Advanced Quantum …, 2022 - Wiley Online Library
The spin‐dependent transport properties through chiral amino acids and their modulations
by light and magnetic field are important for understanding the intrinsic magnetism and …

Spin-dependent transport properties in covalent–organic molecular device with graphene nanoribbon electrodes

W Chen, W Mao, B Bian, N Xu, R Chen, X Li… - Computational and …, 2016 - Elsevier
Based on the first-principles method, the spin-dependent transport properties of covalent-
organic molecular device embedded between two zigzag-edge graphene nanoribbon …

First-principles study of the electronic transport properties of a dihydroazulene-based molecular optical switch

W Chen, R Chen, B Bian, X Li, L Wang - Computational and Theoretical …, 2015 - Elsevier
By using non-equilibrium Green's function formalism combined with density functional
theory, we investigate the electronic transport properties of a dihydroazulene molecule with …

Spin transport properties of 1, 4, 5, 8-naphthalenetetracarboxylic dianhydride based molecular devices

W Wang, D Gao, Y Huang, T Zhou… - Physical Chemistry …, 2019 - pubs.rsc.org
Using density functional theory combined with the nonequilibrium Green's function method,
spin-dependent transport properties of molecular devices consisting of the 1, 4, 5, 8 …

Substituent effect on the transport properties of dihydroazulene-based molecular optical switch: A way to tune the switching properties

CJ Dai, XH Yan, Y Xiao, JR Yuan, MX Bi… - … and Theoretical Chemistry, 2017 - Elsevier
The transport properties of dihydroazulene-based molecular optical switch were
investigated by using first-principle calculation combined with non-equilibrium Green's …