3 article(s) from Zhang, Chunmei
Top and side views of the most favorable NO and NO2 adsorption configurations on monolayers of MoS2...
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(a–c) TDOS and magnetic charge distribution of (a) the pristine MoS2 monolayer, and MOS2 with (b) a...
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Spin orbital-resolved band structures for WS2 with (a) adsorbed NO and (b–e) adsorbed NO2. The red ...
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TDOS of (a) the pristine WS2 monolayer, and the WS2 monolayer with (b) NO adsorbed and (c) NO2 adso...
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Beilstein J. Nanotechnol. 2018, 9, 1641–1646, doi:10.3762/bjnano.9.156
(a) Top view of ThTaN3 with green, grey, and brown spheres representing Th, N, and Ta atoms, respec...
The modulation of band gap (red line) by hydrostatic and tensile strain (−8% to +7%) in ThTaN3 by u...
Band structures of ThTaN3 calculated by the HSE+SOC method under a strain of −8% to 0%. The Fermi l...
Orbital-resolved band structures for ThTaN3 under 5% compressive strain as calculated by the HSE (t...
Band structures for 3D cubic ThTaN3 with a 5% compressive strain as calculated by the HSE+SOC metho...
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Beilstein J. Nanotechnol. 2018, 9, 1399–1404, doi:10.3762/bjnano.9.132
Crystal structure side view of (a) SiAs2 bulk (3 × 2 super cells) and (b) GeAs2 bulk (red: silicon,...
Phonon band structure of a monolayer of (a) SiAs2 and (b) GeAs2 along the high-symmetry points in t...
Band structure for SiAs2 and GeAs2 calculated by the HSE-Wannier function method. The Fermi level i...
Calculated light absorption spectrum of monolayers of SiAs2 (green) and GeAs2 (blue) using HSE func...
(a,c) GW-band structures and (b,d) BSE-optical absorption spectra of SiAs2 and GeAs2, respectively.
Beilstein J. Nanotechnol. 2018, 9, 1247–1253, doi:10.3762/bjnano.9.116
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