11 Result(s)
within
Pengfei Lu
Nanochemistry
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Article
Open AccessDefect and Do** Engineered Penta-graphene for Catalysis of Hydrogen Evolution Reaction
Water electrolysis is a sustainable and clean method to produce hydrogen fuel via hydrogen evolution reaction (HER). Using stable, effective and low-cost electrocatalysts for HER to substitute expensive noble ...
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Article
Geometric and Optical Properties of Cluster Model of Yb-doped Silica Optical Fiber
Based on the 6-membered ring cluster model, geometric and optical properties of cluster model of Yb-doped silica optical fiber is researched by using first-principles calculations. It can be revealed that the ...
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Article
Open AccessStrain Effect on Thermoelectric Performance of InSe Monolayer
Strain engineering is a practical method to tune and improve the physical characteristics and properties of two-dimensional materials, due to their large stretchability. Tensile strain dependence of electronic...
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Article
Open AccessComposition Dependence of Structural and Electronic Properties of Quaternary InGaNBi
To realize feasible band structure engineering and hence enhanced luminescence efficiency, InGaNBi is an attractive alloy which may be exploited in photonic devices of visible light and mid-infrared. In presen...
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Chapter
Electronic Properties of Dilute Bismides
In this chapter, electronic properties of dilute bismide III-V semiconductors are reviewed briefly. Theoretical and computational methods are collected and discussed extensively. Empirical models, including ...
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Dilute Bismuth Optical Fibers
Dilute bismuth optical fiber is potentially useful for fiber amplifiers and lasers with its good luminescence properties. In this chapter, we reviewed the structures and luminescence properties of different va...
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Phosphorus and Nitrogen Containing Dilute Bismides
Phosphorus and nitrogen containing differ from arsenic and antimony containing bismides in that the anions have large differences in atomic size and electronegativity, offering rich potentials for strain as ...
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Article
Influence of Ring Structures on Optical Properties of Trivalent Bismuth in Bi-Doped Silica Optical Fiber
We report silica fiber with trivalent bismuth (Bi3+) in first-principles calculations. The influences of members of “Si–O–Si” rings are considered to study atomic structures, frontier molecular orbital and optica...
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Article
Open AccessStructural and electronic properties of two-dimensional stanene and graphene heterostructure
Structural and electronic properties of two-dimensional stanene and graphene heterostructure (Sn/G) are studied by using first-principles calculations. Various supercell models are constructed in order to redu...
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Article
Open AccessStructural Properties and Phase Transition of Na Adsorption on Monolayer MoS2
First-principles calculations are performed to investigate the structural stability of Na adsorption on 1H and 1T phases of monolayer MoS2. Our results demonstrate that it is likely to make the stability of disto...
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Article
Open AccessThe influence of passivation and photovoltaic properties of α-Si:H coverage on silicon nanowire array solar cells
Silicon nanowire (SiNW) arrays for radial p-n junction solar cells offer potential advantages of light trap** effects and quick charge collection. Nevertheless, lower open circuit voltages (Voc) lead to lower e...
