储能,新材料,石油炼制,石油化工,精细化工,生物医药

理论及计算光化学

Excited States;Photochemistry;Nonadiabatic Dynamics;Conical Intersections;Metal Tadf;Photoisomerization;High Emission Efficiency;Excited State;Intersystem Crossing;Qm/mm

1. High-performance Artificial Nitrogen Fixation at Ambient Conditions Using a Metal-Free Electrocatalyst
Weibin Qiu; Xiao-Ying Xie; Jianding Qiu; Wei-Hai Fang; Ruping Liang; Xiang Ren; Xuqiang Ji; Guanwei Cui; Abdullah M. Asiri; Ganglong Cui; Bo Tang; Xuping Sun
Nature Communications, 2018

2. BODIPY-Based Photodynamic Agents for Exclusively Generating Superoxide Radical over Singlet Oxygen
Kun-Xu Teng; Wen-Kai Chen; Li-Ya Niu; Wei-Hai Fang; Ganglong Cui; Qing-Zheng Yang
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021

3. Ti3C2Tx(T = F, OH) MXene Nanosheets: Conductive 2D Catalysts for Ambient Electrohydrogenation of N2to NH3
Jinxiu Zhao; Lei Zhang; Xiao-Ying Xie; Xianghong Li; Yongjun Ma; Qian Liu; Wei-Hai Fang; Xifeng Shi; Ganglong Cui; Xuping Sun
JOURNAL OF MATERIALS CHEMISTRY A, 2018

4. Intramolecular Hydrogen Bonding Plays a Crucial Role in the Photophysics and Photochemistry of the GFP Chromophore.
Ganglong Cui; Zhenggang Lan; Walter Thiel
Journal of the American Chemical Society, 2011

5. Sulfur-doped Graphene for Efficient Electrocatalytic N2-to-NH3 Fixation.
Li Xia; Jiajia Yang; Huanbo Wang; Runbo Zhao; Hongyu Chen; Weihai Fang; Abdullah M. Asiri; Fengyu Xie; Ganglong Cui; Xuping Sun
Chemical Communications, 2019

6. Time-Dependent Afterglow Color in a Single-Component Organic Molecular Crystal
Jian-Xin Wang; Ye-Guang Fang; Chun-Xiang Li; Li-Ya Niu; Wei-Hai Fang; Ganglong Cui; Qing-Zheng Yang
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2020

7. Generalized Trajectory Surface-Hopping Method for Internal Conversion and Intersystem Crossing.
Ganglong Cui; Walter Thiel
Journal of chemical physics online/The Journal of chemical physics/Journal of chemical physics, 2014

8. Deep Learning for Nonadiabatic Excited-State Dynamics
Wen-Kai Chen; Xiang-Yang Liu; Wei-Hai Fang; Pavlo O. Dral; Ganglong Cui
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018

9. Boosting Electrocatalytic N2 Reduction by MnO2 with Oxygen Vacancies.
Ling Zhang; Xiao-Ying Xie; Huanbo Wang; Lei Ji; Ya Zhang; Hongyu Chen; Tingshuai Li; Yonglan Luo; Ganglong Cui; Xuping Sun
Chemical Communications, 2019

1. 理论及计算光化学
立项时间: 2016-2018 项目经费：1300000

2. 即时高效和精准普适的非绝热动力学模拟方法
立项时间: 2022