| Atomic modulation of FeCo–nitrogen–carbon bifunctional oxygen electrodes for rechargeable and flexible all‐solid‐state zinc–air battery CY Su, H Cheng, W Li, ZQ Liu, N Li, Z Hou, FQ Bai, HX Zhang, TY Ma Advanced Energy Materials 7 (13), 1602420, 2017 | 816 | 2017 |
| Hole Trapping by Iodine Interstitial Defects Decreases Free Carrier Losses in Perovskite Solar Cells: A Time-Domain Ab Initio Study W Li, J Liu, FQ Bai, HX Zhang, OV Prezhdo ACS Energy Letters 2 (6), 1270-1278, 2017 | 170 | 2017 |
| Grain‐boundary‐induced drastic sensing performance enhancement of polycrystalline‐microwire printed gas sensors L Wang, S Chen, W Li, K Wang, Z Lou, G Shen Advanced Materials 31 (4), 1804583, 2019 | 153 | 2019 |
| Control of charge recombination in perovskites by oxidation state of halide vacancy W Li, YY Sun, L Li, Z Zhou, J Tang, OV Prezhdo Journal of the American Chemical Society 140 (46), 15753-15763, 2018 | 140 | 2018 |
| Spin–orbit interactions greatly accelerate nonradiative dynamics in lead halide perovskites W Li, L Zhou, OV Prezhdo, AV Akimov ACS Energy Letters 3 (9), 2159-2166, 2018 | 125 | 2018 |
| Influence of defects on excited-state dynamics in lead halide perovskites: time-domain ab initio studies W Li, R Long, J Tang, OV Prezhdo The journal of physical chemistry letters 10 (13), 3788-3804, 2019 | 78 | 2019 |
| Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskites W Li, Y She, AS Vasenko, OV Prezhdo Nanoscale 13 (23), 10239-10265, 2021 | 77 | 2021 |
| Time-domain ab initio analysis rationalizes the unusual temperature dependence of charge carrier relaxation in lead halide perovskite W Li, J Tang, D Casanova, OV Prezhdo ACS Energy Letters 3 (11), 2713-2720, 2018 | 75 | 2018 |
| Anharmonicity extends carrier lifetimes in lead halide perovskites at elevated temperatures W Li, AS Vasenko, J Tang, OV Prezhdo The Journal of Physical Chemistry Letters 10 (20), 6219-6226, 2019 | 70 | 2019 |
| What Makes Hydroxamate a Promising Anchoring Group in Dye-Sensitized Solar Cells: Insights From Theoretical Investigation? W Li, LGC Rego, FQ Bai, J Wang, R Jia, LM Xie, HX Zhang The Journal of Physical Chemistry Letters 5, 3992-3999, 2014 | 70 | 2014 |
| Passivating Detrimental DX Centers in CH3NH3PbI3 for Reducing Nonradiative Recombination and Elongating Carrier Lifetime J Wang, W Li, WJ Yin Advanced Materials 32 (6), 1906115, 2020 | 69 | 2020 |
| Theoretical investigation of triphenylamine-based sensitizers with different π-spacers for DSSC W Li, J Wang, J Chen, FQ Bai, HX Zhang Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 118 …, 2014 | 60 | 2014 |
| High-selective sensitive NH3 gas sensor: A density functional theory study W Wei, W Li, L Wang Sensors and Actuators B: Chemical 263, 502-507, 2018 | 52 | 2018 |
| Planar amine-based dye features the rigidified O-bridged dithiophene π-spacer: A potential high-efficiency sensitizer for dye-sensitized solar cells application W Li, FQ Bai, J Chen, J Wang, HX Zhang Journal of Power Sources 275, 207-216, 2015 | 50 | 2015 |
| Theoretical investigation and design of high-efficiency dithiafulvenyl-based sensitizers for dye-sensitized solar cells: the impacts of elongating π-spacers and rigidifying … W Li, J Wang, J Chen, FQ Bai, HX Zhang Physical Chemistry Chemical Physics 16 (20), 9458-9468, 2014 | 45 | 2014 |
| Anti-correlation between band gap and carrier lifetime in lead halide perovskites under compression rationalized by ab initio quantum dynamics W Li, Z Chen, J Tang, OV Prezhdo Chemistry of Materials 32 (11), 4707-4715, 2020 | 39 | 2020 |
| Anionic ancillary ligands in cyclometalated Ru (II) complex sensitizers improve photovoltaic efficiency of dye-sensitized solar cells: insights from theoretical investigations TF Lu, W Li, FQ Bai, R Jia, J Chen, HX Zhang Journal of Materials Chemistry A 5 (30), 15567-15577, 2017 | 39 | 2017 |
| Promising pyridinium ylide based anchors towards high-efficiency dyes for dye-sensitized solar cells applications: Insights from theoretical investigations TF Lu, W Li, J Chen, J Tang, FQ Bai, HX Zhang Electrochimica Acta 283, 1798-1805, 2018 | 37 | 2018 |
| Highly-efficient sensitizer with zinc porphyrin as building block: Insights from DFT calculations LJ He, Y Sun, W Li, J Wang, MX Song, HX Zhang Solar Energy 173, 283-290, 2018 | 35 | 2018 |
| Rational design of metal-free organic D-π-A dyes in dye-sensitized solar cells: Insight from density functional theory (DFT) and time-dependent DFT (TD-DFT) investigations TF Lu, W Li, HX Zhang Organic Electronics 59, 131-139, 2018 | 32 | 2018 |
Hong-Xing ZHANG | 张红星Director of Laboratory of Theoretical & Computational Chemistry, Jilin University在 jlu.edu.cn 的电子邮件经过验证
