Zobrazeno 1 - 10
of 141
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:
Long-Fei Lv, Cai-Rong Zhang, Rui Cao, Xiao-Meng Liu, Mei-Ling Zhang, Ji-Jun Gong, Zi-Jiang Liu, You-Zhi Wu, Hong-Shan Chen
Publikováno v:
Journal of Materials Chemistry A; 9/21/2024, Vol. 12 Issue 35, p23859-23871, 13p
Orthorhombic Ca2CO4(space group Pnma) 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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::75749f4e70a9183ba69cda85b77fcb14
https://doi.org/10.21203/rs.3.rs-2822097/v1
https://doi.org/10.21203/rs.3.rs-2822097/v1
Autor:
Hai-Yuan Yu, Cai-Rong Zhang, Mei-Ling Zhang, Xiao-Meng Liu, Ji-Jun Gong, Zi-Jiang Liu, You-Zhi Wu, Hong-Shan Chen
Publikováno v:
New Journal of Chemistry. 46:20204-20216
On the basis of the famous A–D–A-type non-fullerene acceptor IT-4F, this work investigates the effects of introducing methyl groups and substituting dicyano with O on optoelectronic properties and photovoltaic performances.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::65cd0269bce67f8cbae7813b3b7e9f66
https://doi.org/10.1039/d2nj03608h
https://doi.org/10.1039/d2nj03608h
Autor:
Miao Zhao, Cai‐Rong Zhang, Mei‐Ling Zhang, Xiao‐Meng Liu, Ji‐Jun Gong, Zi‐Jiang Liu, Yu‐Hong Chen, Hong‐Shan Chen
Publikováno v:
International Journal of Quantum Chemistry. 123
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c048d7547a048d2963930b44efd5e43d
https://doi.org/10.1002/qua.27047
https://doi.org/10.1002/qua.27047
Publikováno v:
Structural Chemistry. 32:1517-1527
N-doped graphdiyne (N-graphdiyne) is a new kind of alkynyl carbon material whose structure resembles graphdiyne. This study describes the Mn-modified N-graphdiyne (Mn-N-graphdiyne) system on methane (CH4) adsorption properties based on first principl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ba82d9e4e4ed4e09c39bbd693347911
https://doi.org/10.1007/s11224-020-01716-4
https://doi.org/10.1007/s11224-020-01716-4