1. Gas-phase Ultrafast Electron Diffraction (GUED)

MeV-GUED employs relativistic electron beam to probe the structure of molecules on their natural time scale (femtoseconds) and length scale (sub-angstrom). By recording time-resolved diffraction patterns we can track the evolution of molecular structure in real time and thus make molecular movies.
In this direction, we will study the photophysics and photochemistry of small molecules in the gas phase using MeV-GUED. These experiments will be carried out in collaboration with Prof. Renkai Li from Department of Engineering Physics, Tsinghua University and Prof. Dao Xiang from Department of Physics, Shanghai Jiaotong University.
Selected publications in GUED:
- Jie Yang, et al., Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction, Science, 2020, 368, 885-889. (Perspective in Science by Wolfgang Domcke and Andrzej L. Sobolewski)
- Jie Yang, et al., Imaging CF3I conical intersection and photodissociation dynamics with ultrafast electron diffraction, Science, 2018, 361, 64-67. (Perspective in Science by Helen H. Fielding)
- Jie Yang, et al., Diffractive Imaging of Coherent Nuclear Motion in Isolated Molecules, Phys. Rev. Lett., 2016, 117, 153002. (Viewpoint in Physics by Marc J. J. Vrakking)
- Jie Yang, et al., Diffractive imaging of a rotational wavepacket in nitrogen molecules with femtosecond megaelectronvolt electron pulses, Nature Commun. 2016, 7, 11232
2. Liquid-phase Ultrafast Electron Diffraction (LUED)

The study of photo-induced molecular dynamics in solutions and bulk liquids by electron diffraction requires a sample thickness on the order of 100 nm in vacuum. This type of ultra-thin liquid sheet can be produced using gas-accelerated liquid jet technology (Koralek et al., Nat. Commun. 2018, 9, 1353). By combining such liquid jet technology with a relativistic electron source, we built a novel instrument that has enabled MeV-UED measurements on liquid phase samples for the first time. In this project, we will study the structural relaxation of solvent molecules under non-equilibrium conditions, the coupling between intermolecular and intramolecular degrees of freedoms through, for example, hydrogen bond networks, and provide experimental benchmarks for MD simulations.
Selected Publications in LUED:
- Jie Yang, et al., Direct observation of ultrafast hydrogen bond strengthening in liquid water, Nature, 2021, 596, 531-535. Free view-only version.
- Jie Yang, et al., Structure retrieval in liquid-phase electron scattering, Phys. Chem. Chem. Phys. 2020, 23, 1308-1316
- J. Pedro F. Nunes, et al., Liquid-phase mega-electron-volt ultrafast electron diffraction, Struct. Dyn. 2020, 7, 024301
3. Time-resolved photoelectron spectroscopy (TRPES)

TRPES is a pump-probe spectroscopic method that is able to trace electronic configuration and energy relaxation of photoexcited molecules on femtosecond timescales. We will set up a UV-pump VUV-probe experimental scheme. The photoelectron and/or photoion will be detected using a velocity map imaging detector. TRPES and MeV-UED are two complementary experimental methods: TRPES are mostly sensitive to valence electronic dynamics, while MeV-UED are mostly sensitive to nuclear structural dynamics. We will focus on unveiling the complex electronic-nuclear interplay in nonadiabatic dynamics by combining the two experimental techniques.
Funding
2022.1-2026.12, The Key R&D Program of China, 2021YFA1601200, Ministry of Science and Technology of the P. R. China, RMB 5 Million.