Author
Yuping Lv
Bio: Yuping Lv is an academic researcher. The author has contributed to research in topics: Electron density & Adsorption. The author has an hindex of 1, co-authored 2 publications receiving 4 citations.
Papers
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TL;DR: In this paper, the optimized structures and electronic properties of novel C3N monolayers doped with carbon atoms at the central hexagon site were investigated, and the total electron density profiles showed the distribution of charge densities over the whole domain doped nanostructures.
10 citations
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TL;DR: In this paper, the electronic and structural properties of MoS2 monolayers adsorbed with Ag noble metals have been studied by using first-principle calculations, and the results suggest that the adsorption of Ag atoms gives rise to the stable configurations with relaxed structure.
5 citations
Cited by
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TL;DR: In this paper, a spin-polarized first-principles analysis of the MSN monolayer surface was performed and the most stable configuration, adsorption energy, and charge transfer have been computed.
45 citations
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TL;DR: It is found that Letrozole and metronidazole will form a self-assembly with graphene sheets and fullerenes and exhibit a surface-enhanced Raman spectra and enhancement in non-linear optical properties when compared to the single molecule.
Abstract: Letrozole and metronidazole are two commonly used drugs for the management of breast cancer and parasitic infections, respectively. This manuscript attempts to study their structure, geometry, sear...
42 citations
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24 citations
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TL;DR: In this article, the effect of coexistence of vacancy defect and strain on the electronic structure, adsorption properties and surface charge distribution of Hf2CO2 monolayer adsorbed by NH3 molecule is explored by the first-principles calculations.
10 citations
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TL;DR: In this paper , a direct type-Z C3N/WS2 heterojunction was successfully designed by combining highly active two-dimensional transition metal dichalcogenides (TMDs) with C 3N similar in structure to graphene.
9 citations