| The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics D Guo, Q An, SV Zybin, WA Goddard III, F Huang, B Tang Journal of Materials Chemistry A 3 (10), 5409-5419, 2015 | 111 | 2015 |
| Grain boundary sliding and amorphization are responsible for the reverse Hall-Petch relation in superhard nanocrystalline boron carbide D Guo, S Song, R Luo, WA Goddard III, M Chen, KM Reddy, Q An Physical Review Letters 121 (14), 145504, 2018 | 94 | 2018 |
| Compressive shear reactive molecular dynamics studies indicating that cocrystals of TNT/CL-20 decrease sensitivity D Guo, Q An, WA Goddard III, SV Zybin, F Huang The Journal of Physical Chemistry C 118 (51), 30202-30208, 2014 | 82 | 2014 |
| Dislocation-mediated shear amorphization in boron carbide KM Reddy, D Guo, S Song, C Cheng, J Han, X Wang, Q An, M Chen Science advances 7 (8), eabc6714, 2021 | 60 | 2021 |
| Prediction of the Chapman–Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics D Guo, SV Zybin, Q An, WA Goddard III, F Huang Physical Chemistry Chemical Physics 18 (3), 2015-2022, 2016 | 40 | 2016 |
| Thermal stability and detonation properties of potassium 4, 4′-bis (dinitromethyl)-3, 3′-azofurazanate, an environmentally friendly energetic three-dimensional metal–organic … D Guo, Q An ACS applied materials & interfaces 11 (1), 1512-1519, 2018 | 25 | 2018 |
| Chemisorption-induced formation of biphenylene dimer on Ag (111) Z Zeng, D Guo, T Wang, Q Chen, A Matěj, J Huang, D Han, Q Xu, ... Journal of the American Chemical Society 144 (2), 723-732, 2021 | 24 | 2021 |
| Transgranular amorphous shear band formation in polycrystalline boron carbide D Guo, Q An International Journal of Plasticity 121, 218-226, 2019 | 17 | 2019 |
| Dual Functions of Water in Stabilizing Metal-Pentazolate Hydrates [M(N5)2(H2O)4]·4H2O (M = Mn, Fe, Co, and Zn) High-Energy-Density Materials JH Luo, LY Chen, DN Nguyen, D Guo, Q An, MJ Cheng The Journal of Physical Chemistry C 122 (37), 21192-21201, 2018 | 17 | 2018 |
| Influence of silicon on the detonation performance of energetic materials from first-principles molecular dynamics simulations D Guo, D Guo, F Huang, Q An The Journal of Physical Chemistry C 122 (42), 24481-24487, 2018 | 13 | 2018 |
| Elucidating the role of B-site cations toward CO2 reduction in perovskite-based solid oxide electrolysis cells E Tezel, D Guo, A Whitten, G Yarema, M Freire, R Denecke, JS McEwen, ... Journal of The Electrochemical Society 169 (3), 034532, 2022 | 11 | 2022 |
| Enhancing the detonation properties of liquid nitromethane by adding nitro-rich molecule nitryl cyanide D Guo, SV Zybin, WA Goddard III, Q An The Journal of Physical Chemistry C 124 (18), 9787-9794, 2020 | 10 | 2020 |
| Increasing oxygen balance leads to enhanced performance in environmentally acceptable high-energy density materials: predictions from first-principles molecular dynamics … D Guo, SV Zybin, AP Chafin, WA Goddard III ACS Applied Materials & Interfaces 14 (4), 5257-5264, 2022 | 9 | 2022 |
| Elucidating the Cooperative Roles of Water and Lewis Acid–Base Pairs in Cascade C–C Coupling and Self-Deoxygenation Reactions H Li, D Guo, N Ulumuddin, NR Jaegers, J Sun, B Peng, JS McEwen, J Hu, ... JACS Au 1 (9), 1471-1487, 2021 | 8 | 2021 |
| Graphite interface mediated grain-boundary sliding leads to enhanced mechanical properties of nanocrystalline silicon carbide KM Reddy, D Guo, S Lahkar, C Cheng, Y Shinoda, Q An, X Wang Materialia 7, 100394, 2019 | 8 | 2019 |
| Thermal decomposition and diffusion of methane in clathrate hydrates from quantum mechanics simulations D Guo, H Wang, Y Shen, Q An RSC advances 10 (25), 14753-14760, 2020 | 3 | 2020 |
| Vacancy-driven shear localization in silicon nitride R Karre, D Guo, S Song, Y Hu, Y Liu, Q Guo, P Liu, X Wang, Q An, ... Scripta Materialia 190, 163-167, 2021 | 2 | 2021 |
| Detonation Performance of Insensitive Nitrogen-Rich Nitroenamine Energetic Materials Predicted from First-Principles Reactive Molecular Dynamics Simulations D Guo, Y Wei, SV Zybin, Y Liu, F Huang, WA Goddard III JACS Au 4 (4), 1605-1614, 2024 | | 2024 |
| Controlling the Adsorption-Induced Reaction Selectivity of Biphenyl-Based Molecules on Ag (111) D Guo, Z Zeng, JS McEwen, J Zhu 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Deconvoluting XPS Spectra in Lanthanum-Based Perovskites: An Analysis from First Principles A Whitten, E Tezel, D Guo, M Soltani, R Denecke, E Nikolla, JS McEwen 2021 AIChE Annual Meeting, 2021 | | 2021 |
Qi AnIowa State UniversityVerified email at iastate.edu
