Performance Regulation of Thieno[3,2-b]benzothiophene π-Spacer-Based D-π-A Organic Dyes for Dye-Sensitized Solar Cell Applications: Insights From Computational Study

por Xie, Xiaoyin, Liu, Zhi-Hai, Bai, Fu-Quan, Zhang, Hong-Xing
Publicado 2019

Theoretical design of porphyrin sensitizers with different acceptors for application in dye-sensitized solar cells

por Jin, Xingyi, Li, Dongyuan, Sun, Libo, Wang, Cheng-Long, Bai, Fu-Quan
Publicado 2018

Efficiency difference between furan- and thiophene-based D–π–A dyes in DSSCs explained by theoretical calculations

por Jin, Xingyi, Sun, Libo, Li, Dongyuan, Wang, Cheng-Long, Bai, Fu-Quan
Publicado 2018

Theoretical study on the excited state decay properties of iron(ii) polypyridine complexes substituted by bromine and chlorine

por Li, Yuan, Fan, Xue-Wen, Chen, Jie, Bai, Fu-Quan, Zhang, Hong-Xing
Publicado 2019

Theoretical study on the reaction mechanism of the thermal cis–trans isomerization of fluorine-substituted azobenzene derivatives

por Liu, Xiao-Mei, Jin, Xing-Yi, Zhang, Zhi-Xiang, Wang, Jian, Bai, Fu-Quan
Publicado 2018

Stability, Aromaticity, and Photophysical Behaviors of Macrocyclic Molecules: A Theoretical Analysis

por Wei, Wei, Ren, Wenhui, Jian, Wei, Xia, Baohui, Zhang, Hongxing, Bai, Fu-Quan, Li, Wei
Publicado 2020

In Situ Fabrication of Cuprous Selenide Electrode via Selenization of Copper Current Collector for High‐Efficiency Potassium‐Ion and Sodium‐Ion Storage

por Chen, Xi, Li, Malin, Wang, Shi‐Ping, Wang, Chunzhong, Shen, Zexiang, Bai, Fu‐Quan, Du, Fei
Publicado 2021

Density functional theory investigation on iridium(iii) complexes for efficient blue electrophosphorescence

por Zhang, Jian-Po, Wang, Ying, Ma, Jian-Bo, Jin, Li, Liu, Fang-Tong, Bai, Fu-Quan
Publicado 2018

Accurate Analysis of Anisotropic Carrier Mobility and Structure–property Relationships in Organic BOXD Crystalline Materials

por Wang, Shi-Ping, Wang, Yu, Chen, Fang-Yi, Wang, Hai-Tao, Sheong, Fu-Kit, Bai, Fu-Quan, Zhang, Hong-Xing
Publicado 2021

Investigation of the adsorption properties of gemcitabine anticancer drug with metal-doped boron nitride fullerenes as a drug-delivery carrier: a DFT study

por Bibi, Shamsa, Ur-rehman, Shafiq, Khalid, Laryeb, Bhatti, Ijaz Ahmad, Bhatti, Haq Nawaz, Iqbal, Javed, Bai, Fu Quan, Zhang, Hong-Xing
Publicado 2022

Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studies

por Zia, Maimoona, Muhammad, Shabbir, Shafiq-urRehman, Bibi, Shamsa, Abbasi, Sumra Wajid, Al-Sehemi, Abdullah G., Chaudhary, Aijaz Rasool, Bai, Fu Quan
Publicado 2021

Interface Reversible Electric Field Regulated by Amphoteric Charged Protein-Based Coating Toward High-Rate and Robust Zn Anode

por Zhu, Meihua, Ran, Qing, Huang, Houhou, Xie, Yunfei, Zhong, Mengxiao, Lu, Geyu, Bai, Fu-Quan, Lang, Xing-You, Jia, Xiaoteng, Chao, Danming
Publicado 2022