| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 |
| adf:organicsemiconductor [2023/12/09 18:46] – [2023] liu.jun | adf:organicsemiconductor [2024/05/03 15:12] (当前版本) – [2024] liu.jun |
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| =====其他===== | =====其他===== |
| | ====2024==== |
| | - 噻唑并噻唑类分子晶体中熵规则非平衡电荷输运的量子化学研究, Phys. Chem. Chem. Phys., 2024, DOI: [[https://pubs.rsc.org/en/content/articlelanding/2024/cp/d3cp05739a/unauth|10.1039/D3CP05739A]] |
| | - The influence of Hf (IV) metal chelation on the charge transfer and optoelectronic characteristics of Piceatannol as potential organic semiconductors: A theoretical study, Computational and Theoretical Chemistry, Volume 1235, May 2024, 114570, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S2210271X24001099|10.1016/j.comptc.2024.114570]] |
| | - 三硒亚砜基有机分子作为新一代太阳能电池供体和空穴传输材料, Journal of Physics and Chemistry of Solids, 2024, 111961, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0022369724000969|10.1016/j.jpcs.2024.111961]] |
| | - NH3原子层沉积氮化硼初始生长的反应力场分子动力学研究, J. Phys. Chem. C, 2024, DOI：[[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.3c06704|10.1021/acs.jpcc.3c06704]] |
| | - 取代基效应对线性稠合萘二噻吩类分子光电性质的理论研究, J COMPUT CHEM, 2024, DOI: [[https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27301|10.1002/jcc.27301]] |
| ====2023==== | ====2023==== |
| [[https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp04310j/unauth|10.1039/D3CP04310J]] | - 取代施主对钙钛矿太阳能电池空穴传输材料空穴迁移率的影响：DFT研究, Physical Chemistry Chemical Physics, 2023, DOI: [[https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp04310j/unauth|10.1039/D3CP04310J]] |
| - 无机分子晶体结构缩小的影响——Sb2O3的DFT研究, [[https://www.sciencedirect.com/science/article/abs/pii/S1369800123004225|Materials Science in Semiconductor Processing | - 无机分子晶体结构缩小的影响——Sb2O3的DFT研究, [[https://www.sciencedirect.com/science/article/abs/pii/S1369800123004225|Materials Science in Semiconductor Processing |
| Volume 166, 1 November 2023, 107729, DOI: 10.1016/j.mssp.2023.107729]] | Volume 166, 1 November 2023, 107729, DOI: 10.1016/j.mssp.2023.107729]] |
