| Solvent-mediated charge separation drives alternative hydrogenation path of furanics in liquid water Z Zhao, R Bababrik, W Xue, Y Li, NM Briggs, DT Nguyen, U Nguyen, ... Nature Catalysis 2 (5), 431-436, 2019 | 203 | 2019 |
| Structure, Phase Transition, and Electronic Properties of K1−xNaxNbO3 Solid Solutions from First‐Principles Theory SY Liu, S Liu, DJ Li, Y Shen, H Dang, Y Liu, W Xue, S Wang Journal of the American Ceramic Society 97 (12), 4019-4023, 2014 | 34 | 2014 |
| Hydrogenation of o-cresol on platinum catalyst: Catalytic experiments and first-principles calculations Y Li, Z Liu, W Xue, SP Crossley, FC Jentoft, S Wang Applied Surface Science 393, 212-220, 2017 | 32 | 2017 |
| Oxidation mechanism of the intermetallic compound Ti 3 Al from ab initio thermodynamics SY Liu, S Liu, D Li, TM Drwenski, W Xue, H Dang, S Wang Physical Chemistry Chemical Physics 14 (31), 11160-11166, 2012 | 31 | 2012 |
| Phase transformations of nano-sized cubic boron nitride to white graphene and white graphite H Dang, Y Liu, W Xue, RS Anderson, CR Sewell, S Xue, DW Crunkleton, ... Applied Physics Letters 104 (9), 2014 | 27 | 2014 |
| Bonding, stability, and electronic properties of the BC honeycomb monolayer structure on NbB(0001) SY Liu, S Liu, DJ Li, H Dang, Y Liu, S Xue, W Xue, S Wang Physical Review B—Condensed Matter and Materials Physics 88 (11), 115434, 2013 | 21 | 2013 |
| Oxidation of the two-phase Nb/Nb5Si3 composite: The role of energetics, thermodynamics, segregation, and interfaces SY Liu, JX Shang, FH Wang, S Liu, Y Zhang, D Li, D Shields, W Xue, ... The Journal of Chemical Physics 138 (1), 2013 | 21 | 2013 |
| Solvent-mediated charge separation drives alternative hydrogenation path of furanics in liquid water, Nat. Catal. 2 (2019) 431–436 Z Zhao, R Bababrik, W Xue, Y Li, NM Briggs, DT Nguyen, U Nguyen, ... | 8 | |
| Ab initio molecular dynamics simulations of furfural at the liquid-solid interface S Wang, H Dang, W Xue, D Shields, X Liu, FC Jentoft, DE Resasco International Journal of Physical and Mathematical Sciences 7 (7), 1104-1107, 2013 | 5 | 2013 |
| Modeling and simulations of interface properties with first‐principles electronic structure computations S Wang, Y Liu, MR Halfmoon, H Dang, CA Rittenhouse, X Liu, D Shields, ... Mathematical Methods in the Applied Sciences 38 (18), 4495-4501, 2015 | 2 | 2015 |
| Atomic-Scale Mechanism for Hydrogenation of o-Cresol on Pt Catalysis Y Li, Z Liu, W Xue, S Crossley, F Jentoft, S Wang APS March Meeting Abstracts 2016, V47. 010, 2016 | | 2016 |
| First-principles quantum-mechanical investigations: The role of water in catalytic conversion of furfural on Pd (111) W Xue, MG Borja, DE Resasco, S Wang APS March Meeting Abstracts 2015, Z34. 010, 2015 | | 2015 |
| First-principles quantum mechanical investigations: Catalytic reactions of furfural on Pd (111) and at the water/Pd (111) interface W Xue Ph. D. Thesis, 2015 | | 2015 |
| Ab initio molecular dynamics simulations for the role of hydrogen in catalytic reactions of furfural on Pd (111) W Xue, H Dang, Y Liu, F Jentoft, D Resasco, S Wang APS March Meeting Abstracts 2014, D34. 008, 2014 | | 2014 |
| First-principles quantum-mechanical investigations of biomass conversion at the liquid-solid interfaces H Dang, W Xue, Y Liu, F Jentoft, D Resasco, S Wang APS March Meeting Abstracts 2014, D34. 005, 2014 | | 2014 |
| Decarboxylation of furfural on Pd (111): Ab initio molecular dynamics simulations W Xue, H Dang, D Shields, Y Liu, F Jentoft, D Resasco, S Wang APS March Meeting Abstracts 2013, T38. 012, 2013 | | 2013 |
| Ab initio study on the dynamics of furfural at the liquid-solid interfaces H Dang, W Xue, D Shields, Y Liu, F Jentoft, D Resasco, S Wang APS March Meeting Abstracts 2013, T38. 013, 2013 | | 2013 |
| Quantum-Mechanical Investigations for the Oxidation Mechanism of Ti3Al W Xue, SY Liu, S Liu, D Li, T Drwenski, S Yin, S Wang APS March Meeting Abstracts 2012, X5. 011, 2012 | | 2012 |
