Jingsong Huang Research Scientist Contact HUANGJ3@ORNL.GOV All Publications A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite Selectively Deuterated Poly(ε-caprolactone)s: Synthesis and Isotope Effects on the Crystal Structures and Properties Adsorption of Molecular Nitrogen In Electrical Double Layers Near Planar and Atomically Sharp Electrodes Molecular Structure and Dynamics of Interfacial Polymerized Ionic Liquids Theoretical assessment of the nuclear quantum effects on polymer crystallinity via perturbation theory and dynamics Solvate Ionic Liquids at Electrified Interfaces Ab Initio Predictions of Strong Interfaces in Transition-Metal Carbides and Nitrides for Superhard Nanocomposite Coating Applications A physical catalyst for the electrolysis of nitrogen to ammonia A physical catalyst for the electrolysis of nitrogen to ammonia Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite Theoretical investigations of electrical transport properties in CoSb3 skutterudites under hydrostatic loadings Non-Transition-Metal Catalytic System for N2 Reduction to NH 3 : A Density Functional Theory Study of Al-Doped Graphene Relevance of the Nuclear Quantum Effects on the Proton/Deuteron Transmission through Hexagonal Boron Nitride and Graphene Monolayers Ionic liquids-mediated interactions between nanorods Ab Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design Ionic liquids-mediated interactions between nanorods Deuteration as a Means to Tune Crystallinity of Conducting Polymers Enhancing Ion Migration in Grain Boundaries of Hybrid Organic-Inorganic Perovskites by Chlorine Multicomponent Gas Storage in Organic Cage Molecules Triphasic 2D Materials by Vertically Stacking Laterally Heterostructured 2H-/1T'-MoS2 on Graphene for Enhanced Photoresponse Multicomponent Gas Storage in Organic Cage Molecules Effects of Partial La Filling and Sb Vacancy Defects on CoSb3 Skutterudites... Controllable conversion of quasi-freestanding polymer chains to graphene nanoribbons Strain-engineered optoelectronic properties of two-dimensional transition metal dichalcogenide lateral heterostructures... Pagination First page « First Previous page ‹â¶Ä¹ Page 1 Current page 2 Page 3 … Next page ›â¶Äº Last page Last » Key Links Curriculum Vitae MXene for energy storage Isotopic Effects in Amino Acid Ferroelasticity in Perovskite Electroreduction of N2 to NH3 Ions in Grain Boundary Graphene Nanoribbons Supercapacitors Organizations Physical Sciences Directorate User Facilities Center for Nanophase Materials Sciences Theory and Computation Section Nanomaterials Theory Institute Group
