The structural stabilities and electronic structures of Ga atomic chains are studied by the first-principles plane wave pseudopotential method based on the density functional theory. The present calculations show that...The structural stabilities and electronic structures of Ga atomic chains are studied by the first-principles plane wave pseudopotential method based on the density functional theory. The present calculations show that gallium can form planar chains in linear-, zigzag- and ladder-form one-dimensional structures. The most stable one among the studied structures is the zigzag chain with a unit cell rather close to equilateral triangles with four nearest neighbors, and all the other structures are metastable. The relative structural stability, the energy bands and the charge densities are discussed based on the ab initio calculations and the Jahn-Teller effect.展开更多
Aiming at prestressed anchor cable frame in the presence of reinforcement landslide problem, through the selection of test points, the paper study and tested soil pressure, frame internal force and prestress losses un...Aiming at prestressed anchor cable frame in the presence of reinforcement landslide problem, through the selection of test points, the paper study and tested soil pressure, frame internal force and prestress losses under prestressed anchor cable frame beam, reveal the law of internal force distribution, and provides a theory basis for the rational design of prestressed anchor cable in landslide.展开更多
A novel layered hexagonal boron nitride/titanium dioxide(h-BN/TiO2) composite photocatalyst has been constructed by anchoring TiO2 nanoflakes on the surface of hBN flakes via a solvothermal method. The morphology and ...A novel layered hexagonal boron nitride/titanium dioxide(h-BN/TiO2) composite photocatalyst has been constructed by anchoring TiO2 nanoflakes on the surface of hBN flakes via a solvothermal method. The morphology and dispersion of TiO2 can be tuned by controlling the amount of flake h-BN. Benefiting from the unique hetero-structure, the photocatalytic performance of the obtained composite toward rhodamine B(Rh B) degradation is greatly enhanced, among which 12 wt% h-BN/TiO2 composites show 3.5 and 6.9 times higher degradation rate than the synthesized TiO2 and commercial TiO2(P25), respectively, and an excellent cycling stability has also been obtained. Moreover, the first-principles calculation reveals the synergetic catalytic effect between TiO2 and h-BN flake, which is found to be responsible for the significantly enhanced photocatalytic performance of h-BN/TiO2 composites.展开更多
基金ACKN0WLEDGMENT This work was supported by the National Natural Science Foundation of China （No.10374076） and the Natural Science Foundation of Fujian Province （No.E0320001）.
文摘The structural stabilities and electronic structures of Ga atomic chains are studied by the first-principles plane wave pseudopotential method based on the density functional theory. The present calculations show that gallium can form planar chains in linear-, zigzag- and ladder-form one-dimensional structures. The most stable one among the studied structures is the zigzag chain with a unit cell rather close to equilateral triangles with four nearest neighbors, and all the other structures are metastable. The relative structural stability, the energy bands and the charge densities are discussed based on the ab initio calculations and the Jahn-Teller effect.
文摘Aiming at prestressed anchor cable frame in the presence of reinforcement landslide problem, through the selection of test points, the paper study and tested soil pressure, frame internal force and prestress losses under prestressed anchor cable frame beam, reveal the law of internal force distribution, and provides a theory basis for the rational design of prestressed anchor cable in landslide.
基金supported by the National Natural Science Foundation for Excellent Young Scholars of China (51522402)the National Postdoctoral Program for Innovative Talents (BX20180034)+1 种基金the Fundamental Research Funds for the Central Universities (FRF-TP-18-045A1)China Postdoctoral Science Foundation (2018M641192)
文摘A novel layered hexagonal boron nitride/titanium dioxide(h-BN/TiO2) composite photocatalyst has been constructed by anchoring TiO2 nanoflakes on the surface of hBN flakes via a solvothermal method. The morphology and dispersion of TiO2 can be tuned by controlling the amount of flake h-BN. Benefiting from the unique hetero-structure, the photocatalytic performance of the obtained composite toward rhodamine B(Rh B) degradation is greatly enhanced, among which 12 wt% h-BN/TiO2 composites show 3.5 and 6.9 times higher degradation rate than the synthesized TiO2 and commercial TiO2(P25), respectively, and an excellent cycling stability has also been obtained. Moreover, the first-principles calculation reveals the synergetic catalytic effect between TiO2 and h-BN flake, which is found to be responsible for the significantly enhanced photocatalytic performance of h-BN/TiO2 composites.
