37 citations · 96 across the 9 of their papers we have counts for
9 papers
Optical absorption spectroscopy probes water wire and its ordering in a hydrogen-bond network
Fujie Tang, Diana Y. Qiu, Xifan Wu
Water wires, quasi-one-dimensional chains composed of hydrogen-bonded (H-bonded) water molecules, play a fundamental role in numerous chemical, physical, and physiological processe…
Interfaces Govern Structure of Angstrom-scale Confined Water
Yongkang Wang, Fujie Tang, Xiaoqing Yu +6
Water plays a crucial role in geological, biological, and technological processes. Nanoscale water confinement occurs in many of these settings, including sedimentary rocks, water…
Exploring the Impact of Ions on Oxygen K-Edge X-ray Absorption Spectroscopy in NaCl Solution using the GW-Bethe-Salpeter-Equation Approach
Fujie Tang, Kefeng Shi, Xifan Wu
X-ray absorption spectroscopy (XAS) is a powerful experimental tool to probe the local structure in materials with the core hole excitations. Here, the oxygen K-edge XAS spectra of…
Convert widespread paraelectric perovskite to ferroelectrics
Hongwei Wang, Fujie Tang, Massimiliano Stengel +4
While nature provides a plethora of perovskite materials, only a few exhibits large ferroelectricity and possibly multiferroicity. The majority of perovskite materials have the non…
Many-Body Effects in the X-ray Absorption Spectra of Liquid Water
Fujie Tang, Zhenglu Li, Chunyi Zhang +4
X-ray absorption spectroscopy (XAS) is a powerful experimental technique to probe the local order in materials with core electron excitations. Experimental interpretation requires…
Nuclear quantum effects on the quasiparticle properties of the chloride anion aqueous solution within the GW approximation
Fujie Tang, Jianhang Xu, Diana Y. Qiu +1
Photoelectron spectroscopy experiments in ionic solutions reveal important electronic structure information, in which the interaction between hydrated ions and water solvent can be…
Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by using deep neural network potentials
Chunyi Zhang, Fujie Tang, Mohan Chen +5
Within the framework of Kohn-Sham density functional theory (DFT), the ability to provide good predictions of water properties by employing a strongly constrained and appropriately…
Isotope effects in x-ray absorption spectra of liquid water
Chunyi Zhang, Linfeng Zhang, Jianhang Xu +3
The isotope effects in x-ray absorption spectra of liquid water are studied by a many-body approach within electron-hole excitation theory. The molecular structures of both light a…
Probe Ferroelectricity by X-ray Absorption Spectroscopy in Molecular Crystal
Fujie Tang, Xuanyuan Jiang, Hsin-Yu Ko +8
We carry out X-ray absorption spectroscopy experiment at oxygen K-edge in croconic acid (C5H2O5) crystal as a prototype of ferroelectric organic molecular solid, whose electric pol…