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Published in 2019 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2019.07.127
Abstract: Abstract In this work, the edge-enhanced electrocatalytic properties of one dimensional (1D) InSe nanoribbons have been investigated based on first-principles calculations. We show that the electrocatalytic ability of zigzag InSe nanoribbons is strongly related to…
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Keywords:
hydrogen evolution;
inse nanoribbons;
first principles;
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Published in 2018 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.2.114001
Abstract: We report on a theoretical study of electronic and magnetic properties of hydrogen-saturated InSe nanoribbons (H-ZISNs). Based on hybrid-functional first-principles calculations, we find that H-ZISNs exhibit tunable half-metallicity and short-range ferromagnetic order. We first show…
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Keywords:
half metallicity;
metallicity edge;
inse nanoribbons;
saturated inse ... See more keywords
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Published in 2018 at "Nanoscale Research Letters"
DOI: 10.1186/s11671-018-2517-2
Abstract: We have studied the electronic structure and the current-voltage (I-V) characteristics of one-dimensional InSe nanoribbons using the density functional theory combined with the nonequilibrium Green’s function method. Nanoribbons having bare or H-passivated edges of types…
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Keywords:
characteristics inse;
energy;
electronic structure;
structure characteristics ... See more keywords