氧化物固态电解质/电极界面特性与形成机制的计算研究

11874307
2018
A2001.凝聚态物质结构、相变和晶格动力学
吴顺情
面上项目
教授
厦门大学
64万元
合金或多组元材料;晶体;结构;锂离子电池;界面
2019-01-01到2022-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 A rotationally invariant approach based on Gutzwiller wave function for correlated electron systems 期刊论文 Zhuo Ye;Feng Zhang;Yimei Fang;Han Zhang;Shunqing Wu;Wen-Cai Lu;Yong-Xin Yao;Cai-Zhuang Wang;Kai-Ming Ho
2 Robust quantum anomalous Hall effect in a pentagonal MoS2 monolayer grown on CuI(001) substrates 期刊论文 Yimei Fang;Siyu Chen;Xiancong Lu;Shunqing Wu;Zi-Zhong Zhu
3 Effect of Charge Non-Uniformity on the Lithium Dendrites and Improvement by the LiF Interfacial Layer 期刊论文 Yiwei You;Feng Zheng;Dexin Zhang;Chundong Zhao;Chunhua Hu;Xinrui Cao;Zi-zhong Zhu;Shunqing Wu
4 The Gutzwiller conjugate gradient minimization method for correlated electron systems 期刊论文 Zhuo Ye;Yimei Fang;Han Zhang;Feng Zhang;Shunqing Wu;Wen-Cai Lu;Yong-Xin Yao;Cai-Zhuang Wang;Kai-Ming Ho
5 晶体结构预测的新方法和典型应用 期刊论文 吴福伦;吴顺情;朱梓忠
6 Effect of Ni Content on Anionic Redox Activity in Ru-Containing Li-Rich Cathode Material 期刊论文 Kai Hu;Feng Zheng;Zi-Zhong Zhu;Shunqing Wu
7 Quantum Spin Hall effect in tilted penta silicene and its isoelectronic substitutions 期刊论文 Lijin Zhan;Yimei Fang;Ruotong Zhang;Xiancong Lu;Tie-Yu Lü;Xinrui Cao;Zi-Zhong Zhu;Shunqing Wu
8 Formation of oxygen vacancies in Li2FeSiO4: first-principles calculations 期刊论文 Lihong Zhang;Shunqing Wu;Jianwei Shuai;Zhufeng Hou;Zi-Zhong Zhu
9 Charge Compensation Mechanisms and Oxygen Vacancy Formations in LiNi1/3Co1/3Mn1/3O2: First-Principles Calculations 期刊论文 Xiao-Hong Shi;Ya-Ping Wang;Xinrui Cao;Shunqing Wu;Zhufeng Hou;Zizhong Zhu
10 Probing the Limiting Mechanism of Sodium-Ion Extraction in the Na5V(PO4)2F2 Cathode 期刊论文 Xiaofeng Zhang;Feng Zheng;Tie-Yu Lü;Shunqing Wu;Zizhong Zhu
11 Anionic Redox Processes in Maricite- and Triphylite-NaFePO4 of Sodium-Ion Batteries 期刊论文 Mei-ying Zheng;Zong-yao Bai;Yue-Wen He;Shunqing Wu;Yong Yang;Zi-Zhong Zhu
12 ReaxFF Molecular Dynamics Simulations on Silicon Suboxide as Anode Material for Lithium-Ion Batteries 期刊论文 Jianwen Cui;Feng Zheng;Shunqing Wu;Zi-Zhong Zhu
13 First-Principles Studies on the Formation of Oxygen Vacancies in Li2CoSiO4 期刊论文 Xiao-Yin Chen;Li-Hong Zhang;Ya-Ping Wang;Shunqing Wu;Zhu-Feng Hou;Zi-Zhong Zhu
14 富锂锰基三元材料Li1.167Ni0.167Co0.167Mn0.5O2中的氧空位形成 期刊论文 史晓红;陈京金;曹昕睿;吴顺情;朱梓忠
15 Prediction of crystal structures and motifs in the Fe–Mg–O system at Earth’s core pressures 期刊论文 Renhai Wang;Yang Sun;Renata M Wentzcovitch;Feng Zheng;Yimei Fang;Shunqing Wu;Zijing Lin;Cai-Zhuang Wang;Kai-Ming Ho
16 Tuning the electron transport behavior at Li/LATP interface for enhanced cyclability of solid-state Li batteries 期刊论文 Linshan Luo;Feng Zheng;Haowen Gao;Chaofei Lan;Zhefei Sun;Wei Huang;Xiang Han;Ziqi Zhang;Pengfei Su;Peng Wang;Shengshi Guo;Guangyang Lin;Jianfang Xu;Jianyuan Wang;Jun Li;Cheng Li;Qiaobao Zhang;Shunqing Wu;Ming-Sheng Wang;Songyan Chen
17 Comparative study on the electronic structures and redox reactions in LiCrX2 and NaCrX2 (X = O and S) 期刊论文 Yuewen He;Xiaohong Shi;Meiying Zheng;Shunqing Wu;Yong Yang;Zizhong Zhu
18 Structural Evolution, Redox Mechanism, and Ionic Diffusion in Rhombohedral Na2FeFe(CN)6 for Sodium-Ion Batteries: First-Principles Calculations 期刊论文 Ya-Ping Wang;B.P. Hou;Xin-Rui Cao;Shunqing Wu;Zi-Zhong Zhu
19 New Dimorphs of Na5V(PO4)(2)F-2 as an Ultrastable Cathode Material for Sodium-Ion Batteries 期刊论文 Ziteng Liang;Xiaofeng Zhang;Rui Liu;Gregorio F. Ortiz;Guiming Zhong;Yuxuan Xiang;Shijian Chen;Jinxiao Mi;Shunqing Wu;Yong Yang
20 Ab initio calculations on the electronic structures and electrochemical properties of LiVO2 and NaVO2 期刊论文 Lei Wu;Xin-Rui Cao;Shun-Qing Wu;Yong Yang;Zi-Zhong Zhu
21 Electronic and optical properties of graphane, silicane, MoS2 homo-bilayers and hetero-bilayers 期刊论文 Jia-Qi Hu;Lin-Han Xu;Shun-Qing Wu;Zi-Zhong Zhu
22 Strain modulated quantum spin Hall effect in monolayer NiB 期刊论文 Qiaolin Yu;Yimei Fang;Xinrui Cao;Shunqing Wu;Zi-zhong Zhu
23 Structure and motifs of iron oxides from 1 to 3 TPa 期刊论文 Feng Zheng;Yang Sun;Renhai Wang;Yimei Fang;Feng Zhang;Bo Da;Shunqing Wu;Cai-Zhuang Wang;Renata M. Wentzcovitch;Kai-Ming Ho
24 Influence of the Fe-Si-O framework in crystal structure on the phase stability and electrochemical performance of Li2FeSiO4 cathode 期刊论文 Feng Zheng;Qiubao Lin;Shunqing Wu;Zi-zhong Zhu
25 Impact of Structural Transformation on Electrochemical Performances of Li-Rich Cathode Materials: The Case of Li2RuO3 期刊论文 Feng Zheng;Shiyao Zheng;Peng Zhang;Xiaofeng Zhang;Shunqing Wu;Yong Yang;Zi-zhong Zhu
26 碱金属掺杂橄榄石型NaFePO_4的第一性原理研究 期刊论文 白宗尧;郑锋;吴顺情
27 锂磷氧氮(LiPON)固态电解质与Li负极界面特性 期刊论文 游逸玮;崔建文;张小锋;郑锋;吴顺情;朱梓忠
28 First-principles study of direct band gap semiconductors XS2 (X= Zr and Hf) with orthorhombic symmetry 期刊论文 Ruotong Zhang;Yimei Fang;Fulun Wu;Xinrui Cao;Yinghui Zhou;Zi-Zhong Zhu;Shunqing Wu
29 Deep learning interatomic potential for Ca-O system at high pressure 期刊论文 Fulun Wu;Feng Zheng;Weibo He;Xinrui Cao;Tie-Yu Lü;Zi-Zhong Zhu;Shunqing Wu
30 Monolayer MSi2P4 (M = V, Nb, and Ta) as Highly Efficient Sulfur Host Materials for Lithium–Sulfur Batteries 期刊论文 Y. P. Wang;Z. S. Li;Xinrui Cao;Shunqing Wu;Zizhong Zhu
31 Stabilizing the crystal structures of NaFePO4 with Li substitutions 期刊论文 Renhai Wang;Shunqing Wu;Feng Zhang;Xin Zhao;Zijing Lin;Cai-Zhuang Wang;Kai-Ming Ho
32 High-Throughput Screening of Strong Electron–Phonon Couplings in Ternary Metal Diborides 期刊论文 Renhai Wang;Yang Sun;Feng Zhang;Feng Zheng;Yimei Fang;Shunqing Wu;Huafeng Dong;Cai-Zhuang Wang;Vladimir Antropov;Kai-Ming Ho
33 Identifying a Li-rich superionic conductor from charge–discharge structural evolution study: Li2MnO3 期刊论文 Xiaofeng Zhang;Feng Zheng;Shunqing Wu;Zi-Zhong Zhu
34 Unconventional iron-magnesium compounds at terapascal pressures 期刊论文 Yimei Fang;Yang Sun;Renhai Wang;Feng Zheng;Shunqing Wu;Cai-Zhuang Wang;Renata M. Wentzcovitch;Kai-Ming Ho
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