第一性原理模拟课题组 - 李璟睿 - Jingrui Li
联系地址：
陕西省西安市碑林区咸宁西路28号
西安交通大学电子科学与工程学院
李璟睿 特聘研究员
邮政编码：710049
办公地点：
西安交通大学
兴庆校区教二南楼303-2
创新港校区4号巨构4-3039/40
电子邮件：
jingrui.li (at) xjtu.edu.cn
| 2019- |
西安交通大学电子科学与工程学院青年拔尖人才特聘研究员 |
| 2014-2019 |
芬兰阿尔托大学应用物理系资深博士后研究员（Patrick Rinke 课题组） |
| 2011-2013 |
美国佐治亚理工学院有机光子学与电子学中心博士后研究员（Jean-Luc Brédas 课题组） |
| 博士学位 | 德国 慕尼黑工业大学化学系（导师：Michael Thoss） |
| 硕士学位 | 德国 慕尼黑工业大学化学系（导师：Clemens Woywod） |
| 学士学位 | 北京大学化学与分子工程学院 |
- Fangnon (Seidu) et al., Protective coating interfaces for perovskite solar cell materials: A first-principles study, ACS Appl. Mater. & Interfaces doi:10.1021/acsami.1c21785 (2022).
- Pan et al., Free and self-trapped exciton emission in perovskite CsPbBr3 microcrystals, RSC Adv. 12 1035 (2022).
- Chen et al., Highly efficient and stable perovskite solar cells enabled by low-dimensional perovskitoids, Sci. Adv. 8 eabk2722 (2022).
- Liu et al., Near-unity blue luminance from lead-free copper halides for light-emitting diodes, Nano Energy 91 106664 (2022).
- Zhu et al., High triplet energy level molecule enables highly efficient sky-blue perovskite light-emitting diodes, J. Phys. Chem. Lett. 12 11723 (2021).
- Seidu et al., Surface reconstruction of tetragonal methylammonium lead triiodide, APL Mater. 9 111102 (2021).
- Xu et al., Impermeable inorganic "walls" sandwiching perovskite layer toward inverted and indoor photovoltaic devices, Nano Energy 88 106286 (2021).
- Cao et al., Stability improvement of tin-based halide perovskite by precursor-solution regulation with dual-functional reagents, Adv. Funct. Mater. 31 2104344 (2021).
- 李淏淼 等，锡基钙钛矿太阳能电池研究进展，物理化学学报 37 2007006 (2021).
- Seidu et al., Atomic and electronic structure of cesium lead triiodide surfaces, J. Chem. Phys. 154 074712 (2021).
- Lehtomäki et al., Boron doping in gallium oxide from first principles, J. Phys. Commun. 4 125001 (2020).
- Zhang et al., Suppressing Ion Migration Enables Stable Perovskite Light-Emitting Diodes with All-Inorganic Strategy, Adv. Funct. Mater. 30 2001834 (2020).
- Li P. et al., Ligand Orientation-Induced Lattice Robustness for Highly Efficient and Stable Tin-Based Perovskite Solar Cells, ACS Energy Lett. 5 2327 (2020).
- Xu et al., Local nearly non-strained perovskite lattice approaching a broad environmental stability window of efficient solar cells, Nano Energy 75 104940 (2020).
- Yuan et al., A cocktail of multiple cations in inorganic halide perovskite toward efficient and highly stable blue light-emitting diodes, ACS Energy Lett. 5 1062 (2020).
- Ran et al., Conjugated organic cations enable efficient self-healing FASnI3 solar cells, Joule 3 3072 (2019).
- Seidu et al., Database-driven high-throughput study of coating materials for hybrid perovskites, New J. Phys. 21 083018 (2019).
- Gao et al., Robust stability of efficient lead-free formamidinium tin iodide perovskite solar cells realized by structural regulation, J. Phys. Chem. Lett. 9 6999 (2018).
- Järvi et al., Multi-scale model for the structure of hybrid perovskites: analysis of charge migration in disordered MAPbI3 structures, New J. Phys. 20 103013 (2018).
- Li et al., Activation energy of organic cation rotation in CH3NH3PbI3 and CD3NH3PbI3: Quasi-elastic neutron scattering measurements and first-principles analysis including nuclear quantum effects, J. Phys. Chem. Lett. 9 3969 (2018).
- Li et al., Multiscale model for disordered hybrid perovskites: The concept of organic cation pair modes, Phys. Rev. B 98 045201 (2018).
- Kivisaari et al., On the Monte Carlo description of hot carrier effects and device characteristics of III-N LEDs, Adv. Electron. Mater. 3 1600494 (2017).
- Li and Rinke, Atomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction, Phys. Rev. B 94 045201 (2016).
- Li et al., Electronic structure of the perylene-zinc oxide interface: Computational study of photoinduced electron transfer and impact of surface defects, J. Phys. Chem. C 119 18843 (2015).
- Li et al., Quantum dynamical simulation of photoinduced electron transfer processes in dye-semiconductor systems: Theory and application to coumarin 343 at TiO2, J. Phys.: Condens. Matter 27 134202 (2015).
(创新港)
