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29. Kye, S.-H.; Park, H.S.; Zhang, R.; Yang, H.J.; Lee, K.H.; Suh, H.; Kim, J.-G.; Hwang, G.S.; Hur, N.H., “Partial Oxidation of Methane to Methanol by Isolated Pt Catalyst Supported on a CeO2 Nanoparticle”, J. Chem. Phys. 152, 054715 (2020) [link]
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27. Wang, J.; Yilmaz, E.; Zhang, X.; Li, H.; Zhang, R.; Guo, X.; Sun, H.; Wang, B.; and Wi, D., “Hydration Energetics of a Diamine-appended Metal-Organic Framework Carbon Capture Sorbent”, J. Phys. Chem. C 124, 398-403 (2020)[link]
26. Zhang, R.; Anderst, E.; and McEwen, J.-S., “Modeling the Adsorption of NO and NH3 on Fe-SSZ-13 from First Principles: A DFT Study”, Ind. Eng. Chem. Res. 2018, 57, 13396-13405 [link]
25. Zhang, R. and McEwen, J.-S., “Local Environment Sensitivity of the Cu K-edge XANES Features in Cu-SSZ-13: An Analysis from First Principles”, J. Phys. Chem. Lett. 2018, 9, 3035-3042 [link]
24. Therrien, A.J.; Hensley, A.J.; Marcinkowski, M.D.; Zhang, R.; Lucci, F.R.; Coughlin, B.; Schilling, A.C.; McEwen, J.-S.; and Sykes, E.C.H., “An Atomic-Scale View of Single-Site Pt Catalysis for Low-Temperature CO oxidation”, Nat. Catal. 2018, 1(3) 192-198 [link]
23. Therrien, A.J.; Hensley, A.J.; Zhang, R.; Pronschinske, A.; Marcinkowski, M.D.; McEwen, J.-S.; and Sykes, E.C.H., “Characterizing the Geometric and Electronic Structure of Defects in the “29” Copper Surface Oxide”, J. Chem. Phys., 2017, 147(22), 224706 [link]
22. Zhang, R.; Li, H.; and McEwen, J.-S., “Chemical Sensitivity of Valence-to-Core X-ray Emission Spectroscopy Due to the Ligand and the Oxidation State: A Computational Study on Cu-SSZ-13 with Multiple H2O and NH3 adsorption”, J. Phys. Chem. C, 2017, 121 (46), 25759-25767 [pdf]
21. Hensley, A.J.; Therrien, A.J.; Zhang, R.; Marcinkowski, M.D.; Lucci, F.R.; Sykes, E.C.H.; and McEwen, J.-S., “CO Adsorption on the "29"-structure of CuxO/Cu(111): A Computational and Experimental STM and TPD Study”, J. Phys. Chem. C, 2016, 120 (44), 25387-25394 [pdf]
20. Zhang, R.; Szanyi, J.; Gao, F.; McEwen, J.-S., The interaction of reactants, intermediates and products with Cu ions in Cu-SSZ-13 NH3 SCR catalysts: An energetic and ab initio X-ray absorption modeling study, Catal. Sci. Technol., 2016, 6 (15), 5812-5829 [pdf] [Selected as Cover]
19. Zhang, R.; Helling, K.; McEwen, J.-S., Ab initio X-ray absorption modeling of Cu-SAPO-34: Characterization of Cu exchange sites under different conditions, Catal. Today, 2016, 267, 28-40 [pdf]
18. Therrien, A.J.; Zhang, R.; Lucci, F.R.; Marcinkowski, M.D.; Hensley, A.J.; McEwen, J.-S.; Sykes, E.C.H., Structurally accurate model for the "29"-structure of CuxO/Cu(111): A DFT and STM study, J. Phys. Chem. C, 2016, 120 (20), 10879-10886 [pdf] [Selected as Cover] Reported by WSU News [Researchers shed light on important catalyst structure]. Highlighted on the Home page of U.S. DOE Office of Science [pdf].
17. Zhang, R.; McEwen, J.-S.; Kollar, M.; Gao, F.; Wang, Y.; Szanyi, J.; Peden, C. NO Chemisorption on Cu/SSZ-13: A Comparative Study from Infrared Spectroscopy and DFT Calculations, ACS Catal., 2014, 4(11), 4093-4105 [pdf]
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15. Che, F.L.; Zhang, R.; Hensley, A.J.; Ha, S.; McEwen, J.-S., Density functional theory studies of methyl dissociation on a Ni(111) surface in the presence of an external electric field, Phys. Chem. Chem. Phys., 2014, 16(6), 2399-2410 [pdf]
14. Zhang, R.*; Hensley, A.J.; McEwen, J.-S.; Wickert, S.*; Darlatt, E.; Fischer, K.; Schoppke, M.; Denecke, R.; Streber, R.; Lorenz, M.; Papp, C.; Steinruck, H.-P., Integrated X-ray photoelectron spectroscopy and DFT characterization of benzene adsorption on Pt(111), Pt(355) and Pt(322) surfaces, Phys. Chem. Chem. Phys., 2013, 15(47), 20662-20671 (*contribute equally) [pdf]
13. Zhang, R.; Kim, C.E.; Yu, B.D.; Stampfl, C.; Soon, A., Mitigation of CO poisoning on functionalized Pt/TiN surfaces, Phys. Chem. Chem. Phys., 2013, 15 (44), 19450-19456 [pdf]
12. Hensley, A.J.; Zhang, R.; Wang, Y.; McEwen, J.-S.,Tailoring the adsorption of benzene on PdFe surfaces: A density functional theory study, J. Phys. Chem. C, 2013, 117 (46), 24317-24328 [pdf]
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10. Zhang, R.; Lee, T.H.; Yu, B.D.; Stampfl, C.; Soon, A., The role of non-conventional supports for single-atom platinum-based catalysts in fuel cell technology, Phys. Chem. Chem. Phys. 2012, 14 (48), 16552-16557 (Special issue on Computational Catalysis and Materials for Energy Production, Storage and Utilization) [pdf]
9. Zhang, R.; Kim, C.E.; Delly, B.; Stampfl, C.; Soon, A., A first-principles study of ultrathin nanofilms of MgO-supported TiN, Phys. Chem. Chem. Phys. 2012, 14 (7), 2462-2467 [pdf]
8. Li, M.; Wang, Z.; Zhang R.; Soon, A., Size and dimension effect on volume plasmon energy of nanomaterials, Solid State Comm. 2012, 152 (16) 1564-1566 [pdf]
7. Zhang, R.; Liu, X.M.; Wen, Z.; Jiang, Q., Prediction of silicon nanowires as photocatalysts for water splitting: Band structure calculated using density functional theory. J. Phys. Chem. C 2011, 115 (8), 3425-3428 (Selected in the special virtual issue (2013) on Solar Fuels. Photocatalytic Hydrogen Generation) [pdf]
6. Zhang, R.; Hou, C.; Gao, N.; Wen, Z.; Jiang, Q., Multi-field effect on the electronic properties of silicon nanowires. ChemPhysChem 2011,12 (7), 1302-1309 [pdf]
5. Zhang, R.; Gao, N.; Lian, J.S.; Jiang, Q., Tunable optical and electronic properties of Si nanowires by electric bias. J. Appl. Phys. 2011,109 (8), 083106 [pdf]
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