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6 results on '"Jyh-Pin Chou"'

1. Van der Waals interaction in a boron nitride bilayer

Author

Cheng-Rong Hsing, Ching Cheng, Jyh-Pin Chou, Chun-Ming Chang, and Ching-Ming Wei

Subjects
van der Waals interaction, boron nitride bilayer, quantum Monte Carlo methods, density functional theory, 71.15.Nc, 02.70.Ss, Science, Physics, QC1-999
Abstract

We have carried out quantum Monte Carlo (QMC) calculations to study the interlayer interaction in a boron nitride (BN) bilayer. The binding energy, 81 meV/2BN after finite-size corrections, was found to be larger than that obtained by density functional theory (DFT) with local density approximation, and smaller than those using van der Waals density functionals, both by considerable amounts. The QMC calculated interaction beyond the equilibrium interlayer separation was found to have a longer-range behavior than all the available DFT schemes.

Published
2014
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2. A MoSSe/blue phosphorene vdw heterostructure with energy conversion efficiency of 19.9% for photocatalytic water splitting

Author

Huabing Shu, Jyh-Pin Chou, Kai Ren, Sake Wang, Yi Luo, Minglei Sun, and Jin Yu

Subjects
Materials science, business.industry, Energy conversion efficiency, Heterojunction, Condensed Matter Physics, Electronic, Optical and Magnetic Materials, Phosphorene, chemistry.chemical_compound, chemistry, Materials Chemistry, Photocatalysis, Optoelectronics, Electrical and Electronic Engineering, business, Photocatalytic water splitting
Abstract

We propose a novel van der Waals (vdW) heterostructure composed of MoSSe and blue phosphorene (BlueP) and investigate its structural, electronic, and optical properties by using first-principles calculations. We found that the MoSSe/BlueP vdW heterostructure exhibits robust stabilities, type-II band alignment, suitable band edge positions for water splitting, a large build-in electric field, and strong optical absorption for solar radiation, suggesing the potential of being an ideal photocatalyst for water splitting. Remarkably, it also possesses an excellent power conversion efficiency (PCE) of 12.9%. By applying biaxial tensile strains, this value can be further enhanced: the maximum PCE of 19.9% can be obtained under a 2% tensile strain. Our results are useful for designing high-efficiency photocatalysts for water splitting.

Published
2020

3. An optimized random structures generator governed by chemical short-range order for multi-component solid solutions

Author

Yu-Chieh Lo, Peijun Yu, Alice Hu, and Jyh-Pin Chou

Subjects
Generator (computer programming), Materials science, Phase stability, Monte Carlo method, Mechanics, Condensed Matter Physics, Computer Science Applications, Mechanics of Materials, Stacking-fault energy, Modeling and Simulation, Component (UML), Short range order, General Materials Science, Solid solution
Published
2019

4. 2D Tl–Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure

Author

Jyh-Pin Chou, Leonid V. Bondarenko, Alexander A. Saranin, Andrey V. Zotov, C. M. Wei, Dimitry V. Gruznev, Alexandra Y. Tupchaya, Sergey V. Eremeev, and A.N. Mihalyuk

Subjects
Superconductivity, Chemistry, 02 engineering and technology, Electron, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, law.invention, Metal, Crystallography, Electron diffraction, X-ray photoelectron spectroscopy, law, visual_art, 0103 physical sciences, visual_art.visual_art_medium, General Materials Science, Density functional theory, Scanning tunneling microscope, 010306 general physics, 0210 nano-technology, Electronic band structure
Abstract

Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), [Formula: see text]-(Tl, Pb) and [Formula: see text]-(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)[Formula: see text] system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound contains six Tl atoms and seven Pb atoms per [Formula: see text] unit cell (i.e. ∼0.67 ML Tl and ∼0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] and (Tl, Pb)/Ge(1 1 1)[Formula: see text] compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)[Formula: see text], these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.

Published
2016

5. High-efficiency photocatalyst for water splitting: a Janus MoSSe/XN (X  =  Ga, Al) van der Waals heterostructure.

Author

Kai Ren, Sake Wang, Yi Luo, Jyh-Pin Chou, Jin Yu, Wencheng Tang, and Minglei Sun

Subjects
HOLE mobility, CHARGE carrier mobility, OXIDATION-reduction reaction, CHARGE transfer, PHOTOELECTROCHEMISTRY, HETEROSTRUCTURES, SILVER phosphates
Abstract

Two-dimensional van der Waals (vdW) heterostructures were constructed using MoSSe and XN (X  =  Ga, Al) via density functional calculations to serve as water splitting photocatalysts. Both the MoSSe/GaN and MoSSe/AlN heterostructures are energetically, dynamically and thermally stable. Interestingly, they exhibited type-II band structures, indicating the ability to continuously separate photogenerated electrons and holes. They also have appropriate band edge positions for redox reaction potentials of water splitting at pH 0. Remarkably, the MoSSe/GaN vdW heterostructure possessed excellent carrier mobility for holes along both the transport directions. Besides, the charge transfer between the MoSSe and XN layers induced a strong built-in electric field, which further separated the photogenerated carriers. In addition, the MoSSe/GaN and MoSSe/AlN vdW heterostructures exhibit good optical absorption ability toward solar irradiation. All these excellent properties render the MoSSe/GaN and MoSSe/AlN heterostructures are high-efficiency photocatalysts for water splitting. [ABSTRACT FROM AUTHOR]

Published
2020
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