Zobrazeno 1 - 10
of 97
pro vyhledávání: '"Cuihua, Zhao"'
Publikováno v:
Journal of Materiomics, Vol 11, Iss 1, Pp 100850- (2025)
Lots of research on thermoelectric materials (TEs) has focused on improving their thermoelectric (TE) properties to achieve efficient energy conversion. However, the mechanical properties of materials are also the object of concern in practical appli
Externí odkaz:
https://doaj.org/article/2622702e4a8d4301868f31b274df6be6
Publikováno v:
International Journal of Mining Science and Technology, Vol 33, Iss 8, Pp 1055-1063 (2023)
Chalcopyrite is a common copper-bearing mineral with antiferromagnetic properties. However, this property has rarely been considered in previous studies for detailed adsorption behaviors of molecules on chalcopyrite. Based on density functional theor
Externí odkaz:
https://doaj.org/article/8ca83e11f3d74607b57ba2831e792548
Publikováno v:
In Minerals Engineering 1 December 2020 159
Autor:
Liang-Yu Chen, Hong-Yue Zhang, Chuanbo Zheng, Hong-Yu Yang, Peng Qin, Cuihua Zhao, Sheng Lu, Shun-Xing Liang, Linjiang Chai, Lai-Chang Zhang
Publikováno v:
Materials & Design, Vol 208, Iss , Pp 109907- (2021)
The corrosion behavior of laser powder bed fusion produced (L-PBF-produced) titanium alloys involving flowing body fluid is still unclear. Therefore, this work investigates in vitro corrosion behavior and the characteristics of passive films formed o
Externí odkaz:
https://doaj.org/article/937b745ec411408db5ce116998d8f81b
Publikováno v:
Journal of Materiomics, Vol 5, Iss 4, Pp 558-566 (2019)
The interactions of formaldehyde (HCHO) molecule with S-doped anatase TiO2 (001) surface without and with water and oxygen were studied by density functional theory (DFT). The adsorption energy of HCHO adsorption on S-doped TiO2 surface with water an
Externí odkaz:
https://doaj.org/article/9b77accdf5a54795acba9a0ddb222361
Publikováno v:
Results in Physics, Vol 26, Iss , Pp 104338- (2021)
The electronic structures and optical properties of pure, B-doped, Zn-doped and B-Zn co-doped tri-s-triazine g-C3N4 were studied by using first-principles method. The results show that the band gaps of all doped g-C3N4 systems decrease relative to th
Externí odkaz:
https://doaj.org/article/ecec9025f5bd4991be7184345be62a2c
Autor:
Shimin Zhou, Yang Liu, Wendong Jin, Tingting Qin, Xuguang Liu, Cuihua Zhao, Zhiqiang Liu, Xiaoqiang Yu
Publikováno v:
Organic Letters. 25:1573-1577
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b67413b16bd8e2fc367ab78d3a49491a
https://doi.org/10.1021/acs.orglett.3c00429
https://doi.org/10.1021/acs.orglett.3c00429
Publikováno v:
Frontiers in Materials, Vol 7 (2020)
To investigate the effect of hydration behavior on the fluorapatite structure, single H2O molecule and three-layer water cluster adsorptions on the fluorapatite (001) surface were performed by means of density functional theory. The results show that
Externí odkaz:
https://doaj.org/article/f71cbd60de7e41aa82dcb16dd4d1f25c
Publikováno v:
Journal of Materiomics, Vol 4, Iss 3, Pp 247-255 (2018)
The electron structure and optical properties of C-TiO2 (001) surface under external electric field were studied by DFT method. After carbon doping, a new impurity level is introduced in the bandgap region of TiO2 (001) surface, and leads to the decr
Externí odkaz:
https://doaj.org/article/2803f0a01fd847959370c644ec774f09
Publikováno v:
Medžiagotyra, Vol 24, Iss 3, Pp 239-242 (2018)
The metal-support electronic interaction of dispersed Pt, Pd and Au layers on γ-Al2O3 is studied by density functional theory (DFT) calculations. The results indicate that electrons transfer significantly between the contacting layers of Au, Pt or P
Externí odkaz:
https://doaj.org/article/a5f63bf9075b4dfabe00298c9d617523