His main research concerns Density functional theory, Computational chemistry, Nanotechnology, Catalysis and Atomic physics. The Density functional theory study combines topics in areas such as Thermochemistry, Molecular physics, Raman spectroscopy and Atomic orbital. His Atomic orbital research incorporates elements of Statistical physics and Orbital-free density functional theory.
He interconnects Molecule, Organic molecules, Thermodynamics, Electromagnetic shielding and Chemical shift in the investigation of issues within Computational chemistry. His research integrates issues of Chemical engineering, Metal and Doping in his study of Nanotechnology. The concepts of his Atomic physics study are interwoven with issues in Ab initio, Potential energy surface and Basis set.
His primary areas of study are Density functional theory, Computational chemistry, Phosphor, Atomic physics and Chemical engineering. His Density functional theory research incorporates themes from Crystallography, Molecular physics, Statistical physics and Thermodynamics. His Computational chemistry research includes elements of Chemical physics, Molecule, Thermochemistry and Cluster.
Xin Xu has included themes like Luminescence, Doping and Photoluminescence in his Phosphor study. The study incorporates disciplines such as Atom, Basis set and Ab initio quantum chemistry methods in addition to Atomic physics. His research integrates issues of Membrane and Nanotechnology in his study of Chemical engineering.
Xin Xu spends much of his time researching Chemical engineering, Phosphor, Catalysis, Membrane and Statistical physics. His biological study spans a wide range of topics, including Carbon, Anode and Ceramic. His work carried out in the field of Phosphor brings together such families of science as Chemical vapor deposition, Doping, Luminescence, Coating and Photoluminescence.
Xin Xu has included themes like Combinatorial chemistry and Inorganic chemistry in his Catalysis study. His Statistical physics research is multidisciplinary, relying on both Kinetics, Density functional theory and Spin-½. Xin Xu studies Hybrid functional, a branch of Density functional theory.
Xin Xu mostly deals with Chemical engineering, Membrane, Phosphor, Porosity and Ceramic. Xin Xu studies Chemical engineering, namely Nanocomposite. The Phosphor study combines topics in areas such as Condensed matter physics, Excitation, Coating and Activator.
His biological study deals with issues like Boosting, which deal with fields such as Catalysis. His work deals with themes such as Combinatorial chemistry and Monomer, which intersect with Catalysis. His studies deal with areas such as Inorganic chemistry, Ammonia production and Heterogeneous catalysis as well as Aqueous solution.
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert.
Molecular Physics (2015)
The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties
Xin Xu;William A. Goddard.
Proceedings of the National Academy of Sciences of the United States of America (2004)
ReaxFFSiO Reactive Force Field for Silicon and Silicon Oxide Systems
Adri C. T. van Duin;Alejandro Strachan;Shannon Stewman;Qingsong Zhang.
Journal of Physical Chemistry A (2003)
In Situ Growth of Co0.85Se and Ni0.85Se on Conductive Substrates as High-Performance Counter Electrodes for Dye-Sensitized Solar Cells
Feng Gong;Hong Wang;Xin Xu;Gang Zhou.
Journal of the American Chemical Society (2012)
New Alkali Doped Pillared Carbon Materials Designed to Achieve Practical Reversible Hydrogen Storage for Transportation
Wei-Qiao Deng;Xin Xu;William A. Goddard.
Physical Review Letters (2004)
Antibody catalysis of the oxidation of water.
Paul Wentworth;Lyn H. Jones;Anita D. Wentworth;Xueyong Zhu.
Science (2001)
Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics
Ying Zhang;Xin Xu;William A. Goddard.
Proceedings of the National Academy of Sciences of the United States of America (2009)
Bonding Properties of the Water Dimer: A Comparative Study of Density Functional Theories
Xin Xu;William A. Goddard.
Journal of Physical Chemistry A (2004)
Surface Catalytic Coupling Reaction of p-Mercaptoaniline Linking to Silver Nanostructures Responsible for Abnormal SERS Enhancement: A DFT Study
De-Yin Wu;Xiu-Min Liu;Yi-Fan Huang;Bin Ren.
Journal of Physical Chemistry C (2009)
NiSe2 as an efficient electrocatalyst for a Pt-free counter electrode of dye-sensitized solar cells
Feng Gong;Xin Xu;Zhuoqun Li;Gang Zhou.
Chemical Communications (2013)
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