Fujie Tang

Publications

• Correction to: Definition of free O-H groups of water at the air-water interface (Journal of Chemical Theory and Computation (2018) 14:1 (357-364) DOI: 10.1021/acs.jctc.7b00566)
• Observation and Identification of a New OH Stretch Vibrational Band at the Surface of Ice
• π+-π+ stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces
• Orientational Distribution of Free O-H Groups of Interfacial Water is Exponential
• Chemisorbed and Physisorbed Water at the TiO 2 /Water Interface
• Definition of Free O-H Groups of Water at the Air-Water Interface
• Molecular Insight into the Slipperiness of Ice
• Excess Hydrogen Bond at the Ice-Vapor Interface around 200 K
• Vibrational Spectroscopy and Dynamics of Water
• Structures and Dynamics of Interfacial Water
• Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface
• Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110)
• Probing ferroelectricity by x-ray absorption spectroscopy in molecular crystals
• Molecular Structure and Modeling of Water–Air and Ice–Air Interfaces Monitored by Sum-Frequency Generation
• Interface enhanced functionalities in oxide superlattices under mechanical and electric boundary conditions
• Isotope effects in x-ray absorption spectra of liquid water
• Nuclear quantum effects on the quasiparticle properties of the chloride anion aqueous solution within the GW approximation
• Modeling Liquid Water by Climbing up Jacob’s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials
• Convert Widespread Paraelectric Perovskite to Ferroelectrics
• Many-body effects in the X-ray absorption spectra of liquid water
• π+-π+ stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces
• Chemisorbed and Physisorbed Water at the TiO 2 /Water Interface
• Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110)
• Polarization-Dependent Heterodyne-Detected Sum-Frequency Generation Spectroscopy as a Tool to Explore Surface Molecular Orientation and Ångström-Scale Depth Profiling
• Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach
• Heterodyne‐Detected Sum‐Frequency Generation Vibrational Spectroscopy Reveals Aqueous Molecular Structure at the Suspended Graphene/Water Interface
• Revealing the molecular structures of α-Al2O3(0001)–water interface by machine learning based computational vibrational spectroscopy
• Optical Absorption Spectroscopy Probes Water Wire and Its Ordering in a Hydrogen-Bond Network
• Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts
• Decoding the Competing Effects of Dynamic Solvation Structures on Nuclear Magnetic Resonance Chemical Shifts of Battery Electrolytes via Machine Learning
• Auto-dissociation of atmospheric water on TiO2: insights from sum-frequency spectroscopy of Ti–O vibrations