新材料,石油炼制,石油化工,精细化工

1）基于第一原理方法和模型研究的电子结构理论； 
　　2）非线性现象的理论，如固体材料的非线性光学和多铁性质； 
　　3）超导电性和多体相互作用，如电子-声子，电子-磁振子等； 
　　4) 稀土基激光晶体及其它发光材料的机理；

Superconductivity;Crystal Structure;Ab Initio Calculations;First-principles Calculations;Band Structure;Electronic Structure;Onsite Repulsion;Polarizability;Periodic Table;Aufbau Principle

1. Large Second Harmonic Generation (SHG) Effect and High Laser‐Induced Damage Threshold (LIDT) Observed Coexisting in Gallium Selenide
Sheng-Ping Guo; Xiyue Cheng; Zong-Dong Sun; Yang Chi; Bin-Wen Liu; Xiao-Ming Jiang; Shu-Fang Li; Huai-Guo Xue; Shuiquan Deng; Viola Duppel; Juergen Koehler; Guo-Cong Guo
Angewandte Chemie International Edition, 2019

2. Exceptional Photosensitivity of a Polyoxometalate-Based Charge-Transfer Hybrid Material.
Jian-Zhen Liao; Chen Wu; Xiao-Yuan Wu; Shui-Quan Deng; Can-Zhong Lu
Chemical Communications, 2016

3. Dehydrated UiO‐66(SH) 2 : the Zr−O Cluster and Its Photocatalytic Role Mimicking the Biological Nitrogen Fixation
Binbin Guo; Xiyue Cheng; Yu Tang; Wei Guo; Shuiquan Deng; Ling Wu; Xianzhi Fu
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2022

4. The Large Second‐Harmonic Generation of LiCs2PO4 is Caused by the Metal‐Cation‐Centered Groups
Xiyue Cheng; Myung-Hwan Whangbo; Guo-Cong Guo; Maochun Hong; Shuiquan Deng
Angewandte Chemie International Edition, 2018

5. Material Research from the Viewpoint of Functional Motifs
Xiao-Ming Jiang; Shuiquan Deng; Myung-Hwan Whangbo; Guo-Cong Guo
NATIONAL SCIENCE REVIEW, 2022

6. Triple-Kagomé-Layer Slabs of Mixed-Valence Rare-Earth Ions Exhibiting Quantum Spin Liquid Behaviors: Synthesis and Characterization of Eu9MgS2B20O41.
Yang Chi; Jing Xu; Huai-Guo Xue; Yueping Zhang; Xiaolong Chen; Myung-Hwan Whangbo; Sheng-Ping Guo; Shuiquan Deng
Journal of the American Chemical Society, 2019

7. Superconductivity and Chemical Bonding in Mercury.
SQ Deng; A Simon; J Kohler
Angewandte Chemie International Edition, 1998

8. Engineering the Bandgap and Surface Structure of CsPbCl3 Nanocrystals to Achieve Efficient Ultraviolet Luminescence.
Yunqin Zhang; Xiyue Cheng; Datao Tu; Zhongliang Gong; Renfu Li; Yingjie Yang; Wei Zheng; Jin Xu; Shuiquan Deng; Xueyuan Chen
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021

9. The Origin of a Flat Band
SQ Deng; A Simon; J Kohler
Journal of Solid State Chemistry, 2003

10. On the Origin of a Band Gap in Compounds of Diamond-like Structures
Jurgen Koehler; Shuiquan Deng; Changhoon Lee; Myung-Hwan Whangbo
INORGANIC CHEMISTRY, 2007

1. 一种基于高通量计算分析材料光学性质的系统
闽都创新实验室; 中国科学院福建物质结构研究所
程曦月; 丁博翰; 邓水全; 秘汉相
公开日期: 2025-03-25 申请日期: 2023-06-07 公开号: CN116798553B

2. 一种晶体材料光学性能的获取方法
中国科学院福建物质结构研究所
邓水全; 程曦月; 秘汉相; 李振华
公开日期: 2022-11-22 申请日期: 2021-05-20 公开号: CN115376629A

3. Nb3Al超导材料的制备方法
西南交通大学
邓水全; 柴均博; 阚香; 张月萍; 张勇; 赵勇
公开日期: 2016-10-12 申请日期: 2016-06-24 公开号: CN106024196A

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