| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版后一修订版两侧同时换到之后的修订记录 |
| adf:bandhighlight [2020/06/14 15:40] – [非平衡格林函数] liu.jun | adf:bandhighlight [2020/08/04 10:18] – [其他] liu.jun |
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| - 分析能带与化学键的关系（Crystal Orbital Overlap Population） | - 分析能带与化学键的关系（Crystal Orbital Overlap Population） |
| - 不依赖于赝势，计算元素周期表中所有元素 | - 不依赖于赝势，计算元素周期表中所有元素 |
| =====使用BAND发表的部分重要工作===== | =====部分代表性文章===== |
| * [[https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202005047|分子隧道结量子干涉的原位开关(Angew. Chem. Int. Ed. 2020)]] | * [[https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202005047|分子隧道结量子干涉的原位开关(Angew. Chem. Int. Ed. 2020)]] |
| * [[https://www.nature.com/articles/s41563-020-0670-3|WS2-WSe2异质层间激子扩散扭曲角依赖(Nat. Mat. 2020)]] | * [[https://www.nature.com/articles/s41563-020-0670-3|WS2-WSe2异质层间激子扩散扭曲角依赖(Nat. Mat. 2020)]] |
| * [[https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202005047|分子隧道结量子干涉的原位开关(Angew. Chem. Int. Ed. 2020)]] | * [[https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202005047|分子隧道结量子干涉的原位开关(Angew. Chem. Int. Ed. 2020)]] |
| =====其他===== | =====其他===== |
| | * [[https://pubs.rsc.org/en/content/articlepdf/2020/ma/d0ma00461h|直接连接金属卟啉：对生物启发材料的探索(materials advances 2020)]] |
| | * [[https://www.sciencedirect.com/science/article/abs/pii/S1872206720636178|负载型离子液体相（SILP）金基催化剂上乙炔氢氯化反应：氯化氢化学活化对阳离子金的稳定作用及其机理(催化学报 2020)]] |
| | * [[https://www.tandfonline.com/doi/abs/10.1080/08927022.2020.1778171|不饱和纳米多孔石墨烯气体吸附(Mol. Simulat. 2020)]] |
| * [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.0c00915|Chemisorption and Physisorption at the Metal/Organic Interface: Bond Energies of Naphthalene and Azulene on Coinage Metal Surfaces(. Phys. Chem. C 2020)]] | * [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.0c00915|Chemisorption and Physisorption at the Metal/Organic Interface: Bond Energies of Naphthalene and Azulene on Coinage Metal Surfaces(. Phys. Chem. C 2020)]] |
| | * [[https://pubs.acs.org.ccindex.cn/doi/full/10.1021/acsmaterialslett.9b00013|Prediction of Superconductivity in Porous, Covalent Triazine Frameworks, ACS Materials Letters (2019)]] |
| | * [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b01842|Unconventional Thermally Activated Indirect to Direct Radiative Recombination of Electrons and Holes in Tin Disulfide Two-Dimensional van der Waals Material, J. Phys. Chem. C (2019)]] |
| | * [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.8b11411|Strong Variation of Electronic Properties of MoS2 and WS2 Nanotubes in the Presence of External Electric Fields, J. Phys. Chem. C, 123, 6, 3892-3899 (2019)]] |
| | * [[https://pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp00966e|Electron transport in MoWSeS monolayers in the presence of an external electric field(Physical Chemistry Chemical Physics 2014)]] |
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