Zobrazeno 1 - 10
of 149
pro vyhledávání: '"Cai-rong Zhang"'
Publikováno v:
Results in Physics, Vol 61, Iss , Pp 107801- (2024)
Orthocarbonate Sr2CO4 is a recently discovered Sr-carbonate that plays a crucial role in understanding the global long-term carbon cycle. In this work, the structure, equation of state, elasticity, and thermal conductivity of Sr2CO4 were studied by f
Externí odkaz:
https://doaj.org/article/de9bf544fb514bda841893bcd220210e
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-10 (2023)
Abstract Orthorhombic Ca2CO4 is a recently discovered orthocarbonate whose high-pressure physical properties are critical for understanding the deep carbon cycle. Here, we study the structure, elastic and seismic properties of Ca2CO4-Pnma at 20–140
Externí odkaz:
https://doaj.org/article/6f88a205808e470bb1e28f791d7993b8
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-11 (2022)
Abstract The physical properties of Mg-carbonate at high temperature and pressure are crucial for understanding the deep carbon cycle. Here, we use first-principles calculations to study the physical properties of MgCO3-C2/m and Mg2CO4-P21/c under hi
Externí odkaz:
https://doaj.org/article/4a6525da5d7b40fd83cf3034cecbc858
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-13 (2022)
Abstract The first-principles calculations based on density functional theory with projector-augmented wave are used to study the anisotropy of elastic modulus, mechanical hardness, minimum thermal conductivity, acoustic velocity and thermal expansio
Externí odkaz:
https://doaj.org/article/5e701c26f213489ba167bedb913c0b2c
Publikováno v:
Results in Physics, Vol 15, Iss , Pp - (2019)
In order to improve power conversion efficiency and stability, doping is commonly adopted strategy to tune and modify the structures and properties of CH3NH3PbI3 materials in organic-inorganic hybrid perovskite emerging solar cells. Here, to understa
Externí odkaz:
https://doaj.org/article/ff4c5c96843247ed883455bc7cd893e1
Autor:
Xing-Yu Li, Cai-Rong Zhang, You-Zhi Wu, Hai-Min Zhang, Wei Wang, Li-Hua Yuan, Hua Yang, Zi-Jiang Liu, Hong-Shan Chen
Publikováno v:
International Journal of Molecular Sciences, Vol 16, Iss 11, Pp 27707-27720 (2015)
Dye sensitizers can significantly affect power conversion efficiency of dye-sensitized solar cells (DSSCs). Porphyrin-based dyes are promising sensitizers due to their performances in DSSCs. Here, based upon a N-fused carbazole-zinc porphyrin-free-ba
Externí odkaz:
https://doaj.org/article/af985ea4c6964618962d7717ecb95e5b
Autor:
Jin-Gang Ma, Cai-Rong Zhang, Ji-Jun Gong, You-Zhi Wu, Sheng-Zhong Kou, Hua Yang, Yu-Hong Chen, Zi-Jiang Liu, Hong-Shan Chen
Publikováno v:
Materials, Vol 8, Iss 8, Pp 5508-5525 (2015)
Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and
Externí odkaz:
https://doaj.org/article/7b1ebf9bc6bf484d87e002f67a7a043c
Autor:
Zi-Jiang Liu, Yu-Hong Chen, Wei Wang, Yu-Lin Shen, Neng-Zhi Jin, Li-Heng Han, Cai-Rong Zhang, Ji-Jun Gong, Jian-Wu Zhe
Publikováno v:
International Journal of Molecular Sciences, Vol 14, Iss 10, Pp 20171-20188 (2013)
The electronic structures and excitation properties of dye sensitizers determine the photon-to-current conversion efficiency of dye sensitized solar cells (DSSCs). In order to understand the different performance of porphyrin dye sensitizers YD2 and
Externí odkaz:
https://doaj.org/article/7b8ba7c04f8f453d84f3cd702933bc40
Autor:
You-Zhi Wu, Zi-Jiang Liu, Mei-Lin Zhang, Li-Hua Yuan, Yao Ma, Neng-Zhi Jin, Jian-Wu Zhe, Li Liu, Cai-Rong Zhang, Hong-Shan Chen
Publikováno v:
International Journal of Molecular Sciences, Vol 14, Iss 3, Pp 5461-5481 (2013)
To understand the role of the conjugate bridge in modifying the properties of organic dye sensitizers in solar cells, the computations of the geometries and electronic structures for 10 kinds of tetrahydroquinoline dyes were performed using density f
Externí odkaz:
https://doaj.org/article/5434209f9167400e8770fa3340732f68
Publikováno v:
International Journal of Molecular Sciences, Vol 19, Iss 4, p 1134 (2018)
The understanding of the excited-state properties of electron donors, acceptors and their interfaces in organic optoelectronic devices is a fundamental issue for their performance optimization. In order to obtain a balanced description of the differe
Externí odkaz:
https://doaj.org/article/479d112b96054ca1b27a06d310036994