郑轩，男，1993年生，湖北天门人，博士，副教授。毕业于中国科学院化学研究所，目前主要从事量子化学计算、第一性原理计算、分子动力学模拟以及超快光谱模拟等方面研究，已在J. Phys. Chem. Lett., J. Chem. Phys., Spectrochim. Acta, Part A., Phys. Chem. Chem. Phys.等期刊上发表论文16篇。目前承担福建省自然科学基金青年项目、bet356体育娱乐官网网站校长基金各一项。
邮箱：xuanzheng123@iccas.ac.cn
目前课题组研究特点：
1、无瓶瓶罐罐，无化学药品，通过服务器、计算机平台软件研究化学问题，解决实验理论解释与预测问题，但不排斥优秀的你从事合成实验
2、鼓励独立思考，交流沟通，开放互助，所以不用担心你把老师带飞
科研项目：
1、2021J05191，福建省自然科学基金青创项目，主持，2021-2024；
2、KJ2020016，bet356体育娱乐官网网站校长基金，主持，2020-2025；
3、21973102，国家自然科学基金面上项目，参与，2020-2023；
入职以来科研成果：
1. 尤梓涵#, 李玉楠#, 姚琪琛#, 杨谦, 蔡开聪, 郑轩*, 计算化学在紫外可见吸收光谱教学中的应用, 化学教育(中英文), 2022, accepted.
2. C. Liu, H. Liu, X. Zheng, S. Chen, Q. Lai, C. Zheng, M. Huang, K. Cai, Z. Cai, S. Cai*, Visible-Light-Enabled Allylic C-H Oxidation: Metal-free Photocatalytic Generation of Enones. ACS Catalysis 2022, 12, 1375.
3. K. Cai*, X. Zheng, Y. Hou, et al. Deciphering the structural preference encoded in amide-I vibrations of lysine dipeptide in gas phase and in aqueous solution, Spectrochim. Acta, Part A. 2021, 247, 119066.
4. Y. Hou#, X. Zheng#, H. Zhong, et al. Structural Dynamics of Amyloid β Peptide Binding to Acetylcholine Receptor and Virtual Screening for Effective Inhibitors, Chin. J. Chem. Phys., 2021, 34, 323.
5. Y. Guo, F. Yang, X. Zheng, et al. Dielectric polarization effect and transient relaxation in FAPbBr3 films before and after PMMA passivation, Phys. Chem. Chem. Phys., 2021, 23, 10153.
其他科研成果：
1. Y. Guo, F. Yang, X. Zheng, et al. Direct Observation of Surface Polarons in Capped CuInS2 Quantum Dots by Ultrafast Pump-Probe Spectroscopies, J. Phys. Chem. Lett. 2019, 10, 5297.
2. X. Zheng, P. Yu, and J. Wang*, Ultrafast Intramolecular Vibrational Energy Transfer in Carbon Nitride Hydrocolloid Examined by Femtosecond Two-Dimensional Infrared Spectrocopy, J. Chem. Phys., 2019, 150, 194703. (2019年度编辑精选文章)
3. K. Cai*, X. Zheng, J. Liu, et al. Mapping the amide-I spectra of dipeptides with secondary structure and amino acid residue specificity, and its application on amyloid β-peptide in aqueous solution, Spectrochim. Acta, Part A. 2019, 219, 391.
4. X. Zheng, P. Yu, J. Wang*, Intramolecular Vibrational Energy Transfer in Carbon Nitride Examined by Ultrafast 2D Infrared Spectroscopy, Spectrosc. Spect. Anal., 2018, 38, 117.
5. Y. Hou, X. Zheng, K. Cai*., Structural Dynamics and Amide-I Spectrum of Amyloid β Protein Fragments, Spectrosc. Spect. Anal.,2018, 38, 109.
6. K. Cai*, X. Zheng, F. Du. Electrostatic Frequency maps for the Amide-I Mode of b-peptide: Comparison of Molecular Mechanics Force Field and DFT Calculations, Spectrochim. Acta, Part A. 2017, 183, 150.
7. K. Cai*, X. Zheng, Y. Liu, et al. Correlation between Amide-I Spectra and Structural Features of Glycine Dipeptide, Acta Phys. -Chim. Sin. 2016, 32, 1289.
8. X. Zheng, K. Cai*, The Vibrational Frequency Map for Amide-I Band of Alanine Dipeptide, Spectrosc. Spect. Anal., 2016, 36, 13.
9. F. Du, X. Zheng, R. Zheng, K. Cai*, The Vibrational Spectra of Ab(37-42) on Graphene in Solution, Spectrosc. Spect. Anal., 2016, 36, 44.
10. Y. Liu, X. Zheng, K Cai*., The Vibrational Spectrum of b-Azidoalanine Dipeptide, Spectrosc. Spect. Anal.,2016, 36, 50.
11. K. Cai*, F. Du, X. Zheng, et al. General Applicable Frequency Map for the Amide-I Mode in β-Peptides. J. Phys. Chem. B, 2016, 120, 1069.
