| 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:paperofband [2024/03/17 20:08] – [2023] liu.jun | adf:paperofband [2024/05/13 19:37] (当前版本) – [精选案例] liu.jun |
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| <WRAP half column> | <WRAP half column> |
| ====2024==== | ====2024==== |
| | - 二维Sc2N-MXene储氢能力的DFT研究, International Journal of Hydrogen Energy, Volume 69, 5 June 2024, Pages 740-748, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0360319924017786|10.1016/j.ijhydene.2024.05.091]] |
| | - [[https://link.springer.com/book/10.1007/978-981-99-6299-0|《Layeredness in Materials, Layeredness in Materials Characteristics, Strategies and Applications》]] |
| | - Fe和Mn催化六方氮化硼储氢应用的计算研究, International Journal of Hydrogen Energy, Volume 65, 2 May 2024, Pages 727-739, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0360319924011911|10.1016/j.ijhydene.2024.03.335]] |
| | - 【南京大学陆海鸣教授课题组】[[https://www.fermitech.com.cn/ams/ams_application/bandhighlight20240410/|LaFe$_{11.5-x}$Mn$_x$Si$_{1.5}$化合物中Mn掺杂引起磁变化的起源]], Scripta Materialia, 2024, 247, 116114, DOI: [[https://linkinghub.elsevier.com/retrieve/pii/S1359646224001507|10.1016/j.scriptamat.2024.116114]] |
| | - 溶液时效促进阳离子/卤化物钙钛矿混合物中六角多晶型形成, Chem. Mater., 2024, DOI: [[https://pubs.acs.org/doi/abs/10.1021/acs.chemmater.3c02694|10.1021/acs.chemmater.3c02694]] |
| - 二维富碳碳化钛（TiC3）作为钾离子电池大容量阳极, Appl. Surf. Sci., 2024, Volume 659, 30 June 2024, 159879, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0169433224005920|10.1016/j.apsusc.2024.159879]] | - 二维富碳碳化钛（TiC3）作为钾离子电池大容量阳极, Appl. Surf. Sci., 2024, Volume 659, 30 June 2024, 159879, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0169433224005920|10.1016/j.apsusc.2024.159879]] |
| - [[https://www.fermitech.com.cn/news/bandhighlight202401/|Mn掺杂MoS2纳米片改善析氢性能的DFT QTAIM分析]], Materials Today Comm.,2024, 38, 107786 | - [[https://www.fermitech.com.cn/news/bandhighlight202401/|Mn掺杂MoS2纳米片改善析氢性能的DFT QTAIM分析]], Materials Today Comm.,2024, 38, 107786 |
| - [[https://www.fermitech.com.cn/ams/ams_application/bandhighlight202201|【国内课题组】铌、铝共掺杂的EuTiO3合金中增强的低场磁热效应(J. Mater. Sci. Technol. 2022)]] | - [[https://www.fermitech.com.cn/ams/ams_application/bandhighlight202201|【国内课题组】铌、铝共掺杂的EuTiO3合金中增强的低场磁热效应(J. Mater. Sci. Technol. 2022)]] |
| - [[https://pubs.acs.org/doi/abs/10.1021/jacs.1c10947|Conformational Gap Control in CsTaS3(J. Am. Chem. Soc. 2022)]] | - [[https://pubs.acs.org/doi/abs/10.1021/jacs.1c10947|Conformational Gap Control in CsTaS3(J. Am. Chem. Soc. 2022)]] |
| | |
| | </WRAP> |
| | |
| | <WRAP half column> |
| ====2021==== | ====2021==== |
| - [[https://www.fermitech.com.cn/ams/ams_application/bandhighlight202106|MBe2 (M=Zr, Hf)中的π-π键与超导性(Angew. Chem. Int. Ed. 2021)]] | - [[https://www.fermitech.com.cn/ams/ams_application/bandhighlight202106|MBe2 (M=Zr, Hf)中的π-π键与超导性(Angew. Chem. Int. Ed. 2021)]] |
| - [[https://link.springer.com/article/10.1007/s11664-021-08876-x|过渡金属掺杂SiC膜的碘吸附：基于DFT的化学键分析(J. Electron. Mater. 2021)]] | - [[https://link.springer.com/article/10.1007/s11664-021-08876-x|过渡金属掺杂SiC膜的碘吸附：基于DFT的化学键分析(J. Electron. Mater. 2021)]] |
| - [[https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c03345|10K下冰中质子空穴转移传递电子：表面OH自由基的作用(J. Phys. Chem. Lett. 2021)]] | - [[https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c03345|10K下冰中质子空穴转移传递电子：表面OH自由基的作用(J. Phys. Chem. Lett. 2021)]] |
| </WRAP> | |
| |
| <WRAP half column> | |
| |
| ====更早==== | ====更早==== |
| - [[adf:bandhighlight202006|神经毒剂模拟物甲基对氧磷在光活性纳米织物上选择性可见光驱动毒性降解(Appl Catal B-Environ 2020)]] | - [[adf:bandhighlight202006|神经毒剂模拟物甲基对氧磷在光活性纳米织物上选择性可见光驱动毒性降解(Appl Catal B-Environ 2020)]] |
| =====其他案例===== | =====其他案例===== |
| ====2024==== | ====2024==== |
| | - 预测V掺杂SiC纳米管电子和磁性能的第一性原理深度学习框架, Microsystem Technologies, 2024, DOI: [[https://doi.org/10.21203/rs.3.rs-4259943/v1|10.21203/rs.3.rs-4259943/v1]] |
| | - 4d过渡金属在B$_4$C$_3$上吸附的稀磁半导体行为研究, Journal of Magnetism and Magnetic Materials, Available online 12 April 2024, 172045, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0304885324003366|10.1016/j.jmmm.2024.172045]] |
| | - GO表面吸附法高效去除污水中有毒偶氮染料, PloS one, 2024, DOI: [[https://journals.plos.org/plosone/article%3Fid%3D10.1371/journal.pone.0299364|10.1371/journal.pone.0299364]] |
| - 机械化学环罗丹化反应结晶中间体的相互作用和反应性, Phys. Chem. Chem. Phys., 2024,26, [[https://pubs.rsc.org/en/content/articlelanding/2024/cp/d3cp04201d/unauth|2228-2241]] | - 机械化学环罗丹化反应结晶中间体的相互作用和反应性, Phys. Chem. Chem. Phys., 2024,26, [[https://pubs.rsc.org/en/content/articlelanding/2024/cp/d3cp04201d/unauth|2228-2241]] |
| - 从周期DFT计算Ts、At氧化物和羟基化合物与金表面的反应性, Phys. Chem. Chem. Phys., 2024, DOI: [[https://pubs.rsc.org/en/content/articlelanding/2024/cp/d3cp05645g/unauth|10.1039/D3CP05645G]] | - 从周期DFT计算Ts、At氧化物和羟基化合物与金表面的反应性, Phys. Chem. Chem. Phys., 2024, DOI: [[https://pubs.rsc.org/en/content/articlelanding/2024/cp/d3cp05645g/unauth|10.1039/D3CP05645G]] |
