Qingfeng Ge - Publications

Affiliations: 
Chemistry Southern Illinois University, Carbondale, IL, United States 
Area:
modeling, CO2 activation, hydrogen storage
Website:
https://chem.siu.edu/faculty-staff/faculty/ge.php

138 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Ye J, Ge Q. Metal/metal-oxide interface catalysed thermal and electrochemical CO conversion: a perspective from DFT-based studies. Chemical Communications (Cambridge, England). 59: 8488-8503. PMID 37357561 DOI: 10.1039/d3cc01733h  0.672
2022 Tan C, Liu H, Qin Y, Li L, Wang H, Zhu X, Ge Q. Correlation of the Properties of Surface Lattice Oxygen on NiO for its Reactivity and Selectivity Towards Oxidative Dehydrogenation of Propane. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 36223257 DOI: 10.1002/cphc.202200539  0.309
2020 Li L, Wang H, Han J, Zhu X, Ge Q. A density functional theory study on reduction-induced structural transformation of copper-oxide-based oxygen carrier. The Journal of Chemical Physics. 152: 054709. PMID 32035433 DOI: 10.1063/1.5137906  0.4
2020 Cui C, Sun M, Zhu X, Han J, Wang H, Ge Q. Oxygen Reduction Reaction Catalyzed by Pt3M (M = 3d Transition Metals) Supported on O-doped Graphene Catalysts. 10: 156. DOI: 10.3390/Catal10020156  0.401
2020 Sun K, Rui N, Zhang Z, Sun Z, Ge Q, Liu C. A highly active Pt/In2O3 catalyst for CO2 hydrogenation to methanol with enhanced stability Green Chemistry. 22: 5059-5066. DOI: 10.1039/D0Gc01597K  0.422
2020 Li M, Zhang S, Li L, Han J, Zhu X, Ge Q, Wang H. Construction of Highly Active and Selective PolydopamineModified Hollow ZnO/Co 3 O 4 p‑n HeterojunctionCatalyst for Photocatalytic CO 2 Reduction Acs Sustainable Chemistry & Engineering. 8: 11465-11476. DOI: 10.1021/Acssuschemeng.0C04829  0.411
2020 Guo Y, Yu Q, Fang H, Wang H, Han J, Ge Q, Zhu X. Ce–UiO-66 Derived CeO2 Octahedron Catalysts for Efficient Ketonization of Propionic Acid Industrial & Engineering Chemistry Research. 59: 17269-17278. DOI: 10.1021/Acs.Iecr.0C01238  0.338
2020 Zhang L, Li M, Zhang S, Cao X, Bo J, Zhu X, Han J, Ge Q, Wang H. Promoting carbon dioxide electroreduction toward ethanol through loading Au nanoparticles on hollow Cu2O nanospheres Catalysis Today. DOI: 10.1016/J.Cattod.2020.08.001  0.32
2020 Zhang T, Yang X, Ge Q. A DFT study of methane conversion on Mo-terminated Mo2C carbides: Carburization vs C–C coupling Catalysis Today. DOI: 10.1016/J.Cattod.2020.02.001  0.356
2020 Zhang T, Yang X, Ge Q. CH4 dissociation and CC coupling on Mo-terminated MoC surfaces: A DFT study Catalysis Today. 339: 54-61. DOI: 10.1016/J.Cattod.2019.03.020  0.315
2020 Yang F, Wang H, Han J, Ge Q, Zhu X. Influence of Re addition to Ni/SiO2 catalyst on the reaction network and deactivation during hydrodeoxygenation of m-cresol Catalysis Today. 347: 79-86. DOI: 10.1016/J.Cattod.2018.04.073  0.366
2020 Li L, Wang H, Han J, Zhu X, Ge Q. Balancing the Activity and Selectivity of Propane Oxidative Dehydrogenation on NiOOH (001) and (010) Transactions of Tianjin University. 26: 341-351. DOI: 10.1007/S12209-020-00267-3  0.402
2020 Zhu M, Ge Q, Zhu X. Catalytic Reduction of CO2 to CO via Reverse Water Gas Shift Reaction: Recent Advances in the Design of Active and Selective Supported Metal Catalysts Transactions of Tianjin University. 26: 172-187. DOI: 10.1007/S12209-020-00246-8  0.4
2020 Wang M, Zhang S, Li M, Han A, Zhu X, Ge Q, Han J, Wang H. Facile synthesis of hierarchical flower-like Ag/Cu2O and Au/Cu2O nanostructures and enhanced catalytic performance in electrochemical reduction of CO2 Frontiers of Chemical Science and Engineering. 14: 813-823. DOI: 10.1007/S11705-019-1854-8  0.319
2020 Zhao Y, Zhu X, Wang H, Han J, Mei D, Ge Q. Aqueous Phase Aldol Condensation of Formaldehyde and Acetone on Anatase TiO 2 (101) Surface: A Theoretical Investigation Chemcatchem. 12: 1220-1229. DOI: 10.1002/Cctc.201901736  0.335
2019 Zhang T, Yang X, Ge Q. Surface chemistry and reactivity of α-MoO toward methane: A SCAN-functional based DFT study. The Journal of Chemical Physics. 151: 044708. PMID 31370548 DOI: 10.1063/1.5113787  0.429
2019 Han A, Li M, Zhang S, Zhu X, Han J, Ge Q, Wang H. Ti3+ Defective SnS2/TiO2 Heterojunction Photocatalyst for Visible-Light Driven Reduction of CO2 to CO with High Selectivity Catalysts. 9: 927. DOI: 10.3390/Catal9110927  0.314
2019 Zhao Y, Wang H, Han J, Zhu X, Mei D, Ge Q. Simultaneous Activation of CH4 and CO2 for Concerted C–C Coupling at Oxide–Oxide Interfaces Acs Catalysis. 9: 3187-3197. DOI: 10.1021/Acscatal.9B00291  0.382
2019 Zhao J, Cui C, Wang H, Han J, Zhu X, Ge Q. Anisotropic N-Modification of the Mo4 Ensemble for Efficient Ammonia Synthesis on Molybdenum Nitrides The Journal of Physical Chemistry C. 124: 616-624. DOI: 10.1021/Acs.Jpcc.9B09405  0.341
2019 Zhao J, Cui C, Wang H, Han J, Zhu X, Ge Q. Insights into the Mechanism of Ammonia Decomposition on Molybdenum Nitrides Based on DFT Studies Journal of Physical Chemistry C. 123: 554-564. DOI: 10.1021/Acs.Jpcc.8B10101  0.418
2019 Cao J, Ding S, Wang H, Han J, Ge Q, Zhu X. Conversion of C2–4 Carboxylic Acids to Hydrocarbons on HZSM-5: Effect of Carbon Chain Length Industrial & Engineering Chemistry Research. 58: 10307-10316. DOI: 10.1021/Acs.Iecr.9B01755  0.3
2019 Wu X, Sun Q, Wang H, Han J, Ge Q, Zhu X. Effect of acid-metal balance of bifunctional Pt/Beta catalysts on vapor phase hydrodeoxygenation of m-cresol Catalysis Today. DOI: 10.1016/J.Cattod.2019.04.039  0.391
2019 Zhang S, Liu X, Li M, Wei Y, Zhang G, Han J, Zhu X, Ge Q, Wang H. Metal-free amino-incorporated organosilica nanotubes for cooperative catalysis in the cycloaddition of CO2 to epoxides Catalysis Today. 324: 59-65. DOI: 10.1016/J.Cattod.2018.07.004  0.354
2019 Yang F, Wang H, Han J, Ge Q, Zhu X. Enhanced selective deoxygenation of m-cresol to toluene on Ni/SiO2 catalysts derived from nickel phyllosilicate Catalysis Today. 330: 149-156. DOI: 10.1016/J.Cattod.2018.02.035  0.346
2019 Li M, Zhang S, Liu X, Han J, Zhu X, Ge Q, Wang H. Cover Feature: Polydopamine and Barbituric Acid Co‐Modified Carbon Nitride Nanospheres for Highly Active and Selective Photocatalytic CO2 Reduction (Eur. J. Inorg. Chem. 15/2019) European Journal of Inorganic Chemistry. 2019: 2014-2014. DOI: 10.1002/Ejic.201900366  0.304
2019 Li M, Zhang S, Liu X, Han J, Zhu X, Ge Q, Wang H. Polydopamine and Barbituric Acid Co‐Modified Carbon Nitride Nanospheres for Highly Active and Selective Photocatalytic CO2 Reduction European Journal of Inorganic Chemistry. 2019: 2058-2064. DOI: 10.1002/Ejic.201801249  0.307
2018 Yang F, Liu D, Zhao Y, Wang H, Han J, Ge Q, Zhu X. Size Dependence of Vapor Phase Hydrodeoxygenation of m-Cresol on Ni/SiO2 Catalysts Acs Catalysis. DOI: 10.1021/Acscatal.7B04097  0.349
2018 Zhao Y, Wang H, Han J, Zhu X, Ge Q. Active Site Ensembles Enabled C–C Coupling of CO2 and CH4 for Acetone Production Journal of Physical Chemistry C. 122: 9570-9577. DOI: 10.1021/Acs.Jpcc.8B02359  0.386
2018 Ding S, Wang H, Han J, Zhu X, Ge Q. Ketonization of Propionic Acid to 3-Pentanone over CexZr1–xO2 Catalysts: The Importance of Acid–Base Balance Industrial & Engineering Chemistry Research. 57: 17086-17096. DOI: 10.1021/Acs.Iecr.8B04208  0.371
2018 Yuan H, Zhu X, Han J, Wang H, Ge Q. Rhenium-promoted selective CO2 methanation on Ni-based catalyst Journal of Co 2 Utilization. 26: 8-18. DOI: 10.1016/J.Jcou.2018.04.010  0.459
2018 Li Y, Huang S, Cheng Z, Wang S, Ge Q, Ma X. Synergy between Cu and Brønsted acid sites in carbonylation of dimethyl ether over Cu/H-MOR Journal of Catalysis. 365: 440-449. DOI: 10.1016/J.Jcat.2018.06.026  0.301
2018 Fan H, Feng J, Li W, Li X, Wiltowski T, Ge Q. Role of CO2 in the oxy-dehydrogenation of ethylbenzene to styrene on the CeO2(111) surface Applied Surface Science. 427: 973-980. DOI: 10.1016/J.Apsusc.2017.09.067  0.402
2017 Zhai L, Cui C, Zhao Y, Zhu X, Han J, Wang H, Ge Q. Titania-Modified Silver Electrocatalyst for Selective CO2 Reduction to CH3OH and CH4 from DFT Study Journal of Physical Chemistry C. 121: 16275-16282. DOI: 10.1021/Acs.Jpcc.7B03314  0.401
2017 Liu D, Li G, Yang F, Wang H, Han J, Zhu X, Ge Q. Competition and Cooperation of Hydrogenation and Deoxygenation Reactions during Hydrodeoxygenation of Phenol on Pt(111) Journal of Physical Chemistry C. 121: 12249-12260. DOI: 10.1021/Acs.Jpcc.7B03042  0.417
2017 Sun J, Wang H, Gao X, Zhu X, Ge Q, Liu X, Han J. Mesoporous silica-based nanotubes loaded Pd nanoparticles: Effect of framework compositions on the performance in heterogeneous catalysis Microporous and Mesoporous Materials. 247: 1-8. DOI: 10.1016/J.Micromeso.2017.03.040  0.335
2017 Yang F, Liu D, Wang H, Liu X, Han J, Ge Q, Zhu X. Geometric and electronic effects of bimetallic Ni–Re catalysts for selective deoxygenation of m-cresol to toluene Journal of Catalysis. 349: 84-97. DOI: 10.1016/J.Jcat.2017.01.001  0.424
2017 Rui N, Wang Z, Sun K, Ye J, Ge Q, Liu Cj. CO2 hydrogenation to methanol over Pd/In2O3: effects of Pd and oxygen vacancy Applied Catalysis B-Environmental. 218: 488-497. DOI: 10.1016/J.Apcatb.2017.06.069  0.686
2017 Wang X, Ding S, Wang H, Liu X, Han J, Ge Q, Zhu X. Conversion of propionic acid and 3-pentanone to hydrocarbons on ZSM-5 catalysts: Reaction pathway and active site Applied Catalysis a-General. 545: 79-89. DOI: 10.1016/J.Apcata.2017.07.037  0.354
2016 Zhao Y, Cui C, Han J, Wang H, Zhu X, Ge Q. Direct C-C Coupling of CO2 and the Methyl Group from CH4 Activation through Facile Insertion of CO2 into Zn-CH3 σ-bond. Journal of the American Chemical Society. PMID 27452233 DOI: 10.1021/Jacs.6B04446  0.354
2016 Yu X, Zhang Z, Yang C, Bebensee F, Heissler S, Nefedov A, Tang M, Ge Q, Chen L, Kay BD, Dohnálek Z, Wang Y, Wöll C. Interaction of Formaldehyde with the Rutile TiO2(110) Surface: A Combined Experimental and Theoretical Study Journal of Physical Chemistry C. 120: 12626-12636. DOI: 10.1021/Acs.Jpcc.6B03689  0.362
2016 Zhang X, Wang H, Liu X, Han J, Zhu X, Ge Q. Effect of calcination and metal loading on the characteristics of Co/NaY catalyst for liquid-phase hydrogenation of ethyl lactate to 1,2-propanediol Microporous and Mesoporous Materials. 233: 184-193. DOI: 10.1016/J.Micromeso.2016.04.015  0.417
2016 Wang H, Han Z, Zhang L, Cui C, Zhu X, Liu X, Han J, Ge Q. Enhanced CO selectivity and stability for electrocatalytic reduction of CO2 on electrodeposited nanostructured porous Ag electrode Journal of Co 2 Utilization. 15: 41-49. DOI: 10.1016/J.Jcou.2016.04.013  0.308
2016 Tang M, Zhang Z, Ge Q. A DFT-based study of surface chemistries of rutile TiO 2 and SnO 2 (110) toward formaldehyde and formic acid Catalysis Today. 274: 103-108. DOI: 10.1016/J.Cattod.2016.01.057  0.433
2016 Wang W, Zhang Y, Wang Z, Yan J, Ge Q, Liu C. Reverse water gas shift over In 2 O 3 –CeO 2 catalysts Catalysis Today. 259: 402-408. DOI: 10.1016/J.Cattod.2015.04.032  0.457
2016 Wang H, Guo Y, Chang C, Zhu X, Liu X, Han J, Ge Q. Enhancing tungsten oxide/SBA-15 catalysts for hydrolysis of cellobiose through doping ZrO2 Applied Catalysis a-General. 523: 182-192. DOI: 10.1016/J.Apcata.2016.06.006  0.424
2016 Sun Q, Chen G, Wang H, Liu X, Han J, Ge Q, Zhu X. Back Cover: Insights into the Major Reaction Pathways of Vapor‐Phase Hydrodeoxygenation of m‐Cresol on a Pt/HBeta Catalyst (ChemCatChem 3/2016) Chemcatchem. 8: 656-656. DOI: 10.1002/Cctc.201600078  0.352
2016 Sun Q, Chen G, Wang H, Liu X, Han J, Ge Q, Zhu X. Insights into the Major Reaction Pathways of Vapor-Phase Hydrodeoxygenation of m-Cresol on a Pt/HBeta Catalyst Chemcatchem. DOI: 10.1002/Cctc.201501232  0.39
2015 Li G, Han J, Wang H, Zhu X, Ge Q. Role of Dissociation of Phenol in Its Selective Hydrogenation on Pt(111) and Pd(111) Acs Catalysis. 5: 2009-2016. DOI: 10.1021/Cs501805Y  0.43
2015 Zhu K, Xia Y, Tang M, Wang Z, Lyubinetsky I, Ge Q, Dohnálek Z, Park KT, Zhang Z. Low-Temperature Reductive Coupling of Formaldehyde on Rutile TiO2(110) Journal of Physical Chemistry C. 119: 18452-18457. DOI: 10.1021/Acs.Jpcc.5B05639  0.361
2015 Zhu K, Xia Y, Tang M, Wang ZT, Jan B, Lyubinetsky I, Ge Q, Dohnálek Z, Park KT, Zhang Z. Tracking site-specific C-C coupling of formaldehyde molecules on rutile TiO2(110) Journal of Physical Chemistry C. 119: 14267-14272. DOI: 10.1021/Acs.Jpcc.5B04781  0.374
2015 Sun K, Fan Z, Ye J, Yan J, Ge Q, Li Y, He W, Yang W, Liu CJ. Hydrogenation of CO2 to methanol over In2O3 catalyst Journal of Co2 Utilization. 12: 1-6. DOI: 10.1016/J.Jcou.2015.09.002  0.698
2015 Cui C, Han J, Zhu X, Liu X, Wang H, Mei D, Ge Q. Promotional effect of surface hydroxyls on electrochemical reduction of CO2 over SnO x /Sn electrode Journal of Catalysis. DOI: 10.1016/J.Jcat.2015.12.001  0.439
2015 Jin N, Han J, Wang H, Zhu X, Ge Q. A DFT study of oxygen reduction reaction mechanism over O-doped graphene-supported Pt4, Pt3Fe and Pt3V alloy catalysts International Journal of Hydrogen Energy. 40: 5126-5134. DOI: 10.1016/J.Ijhydene.2015.02.101  0.404
2015 Chen C, Chen G, Yang F, Wang H, Han J, Ge Q, Zhu X. Vapor phase hydrodeoxygenation and hydrogenation of m -cresol on silica supported Ni, Pd and Pt catalysts Chemical Engineering Science. 135: 145-154. DOI: 10.1016/J.Ces.2015.04.054  0.411
2015 Ye J, Ge Q, Liu CJ. Effect of PdIn bimetallic particle formation on CO2 reduction over the Pd–In/SiO2 catalyst Chemical Engineering Science. 135: 193-201. DOI: 10.1016/J.Ces.2015.04.034  0.718
2015 Cui C, Wang H, Zhu X, Han J, Ge Q. A DFT study of CO 2 electrochemical reduction on Pb(211) and Sn(112) Science China-Chemistry. 58: 607-613. DOI: 10.1007/S11426-015-5323-Z  0.401
2015 Wang H, Lv J, Zhu X, Liu X, Han J, Ge Q. Efficient Hydrolytic Hydrogenation of Cellulose on Mesoporous HZSM-5 Supported Ru Catalysts Topics in Catalysis. 58: 623-632. DOI: 10.1007/S11244-015-0409-6  0.413
2015 Ge Q, Gutowski M. A Comparative Study of Methanol Adsorption and Dissociation over WO3(001) and ReO3(001) Topics in Catalysis. 58: 655-664. DOI: 10.1007/S11244-015-0402-0  0.473
2015 Zhang Z, Tang M, Wang Z, Ke Z, Xia Y, Park KT, Lyubinetsky I, Dohnálek Z, Ge Q. Imaging of Formaldehyde Adsorption and Diffusion on TiO2(110) Topics in Catalysis. 58: 103-113. DOI: 10.1007/S11244-014-0349-6  0.393
2014 Niu Y, Wang H, Zhu X, Song Z, Xie X, Liu X, Han J, Ge Q. Ru supported on zirconia-modified SBA-15 for selective conversion of cellobiose to hexitols Microporous and Mesoporous Materials. 198: 215-222. DOI: 10.1016/J.Micromeso.2014.07.030  0.424
2014 Ye J, Liu CJ, Mei D, Ge Q. Methanol synthesis from CO2 hydrogenation over a Pd4/In2O3 model catalyst: A combined DFT and kinetic study Journal of Catalysis. 317: 44-53. DOI: 10.1016/J.Jcat.2014.06.002  0.701
2014 Xie X, Han J, Wang H, Zhu X, Liu X, Niu Y, Song Z, Ge Q. Selective conversion of microcrystalline cellulose into hexitols over a Ru/[Bmim]3PW12O40 catalyst under mild conditions Catalysis Today. 233: 70-76. DOI: 10.1016/J.Cattod.2013.09.061  0.414
2014 Sun Q, Ye J, Liu CJ, Ge Q. In 2 O 3 as a promising catalyst for CO 2 utilization: A case study with reverse water gas shift over In 2 O 3 Greenhouse Gases-Science and Technology. 4: 140-144. DOI: 10.1002/Ghg.1401  0.682
2013 Xia Y, Ye J, Murray P, Ali A, Ge Q, Zhang Z. Imaging reactions of acetone with oxygen adatoms on partially oxidized TiO2(110). Physical Chemistry Chemical Physics : Pccp. 15: 13897-901. PMID 23842844 DOI: 10.1039/C3Cp51695D  0.688
2013 Meng Q, Wang T, Liu E, Ma X, Ge Q, Gong J. Understanding electronic and optical properties of anatase TiO2 photocatalysts co-doped with nitrogen and transition metals. Physical Chemistry Chemical Physics : Pccp. 15: 9549-61. PMID 23652827 DOI: 10.1039/C3Cp51476E  0.303
2013 Liu J, Tyrrell J, Cheng L, Ge Q. First-principles studies on hydrogen desorption mechanism of Mg nH2n (n = 3, 4) Journal of Physical Chemistry C. 117: 8099-8104. DOI: 10.1021/Jp400969N  0.489
2013 Ye J, Liu C, Mei D, Ge Q. Active Oxygen Vacancy Site for Methanol Synthesis from CO2 Hydrogenation on In2O3(110): A DFT Study Acs Catalysis. 3: 1296-1306. DOI: 10.1021/Cs400132A  0.723
2013 Xu L, Ge Q. Effect of defects and dopants in graphene on hydrogen interaction in graphene-supported NaAlH4 International Journal of Hydrogen Energy. 38: 3670-3680. DOI: 10.1016/J.Ijhydene.2012.12.143  0.321
2012 Xia Y, Zhang B, Ye J, Ge Q, Zhang Z. Acetone-Assisted Oxygen Vacancy Diffusion on TiO2(110). The Journal of Physical Chemistry Letters. 3: 2970-4. PMID 26292235 DOI: 10.1021/Jz301293Y  0.675
2012 Ye J, Liu C, Ge Q. A DFT study of methanol dehydrogenation on the PdIn(110) surface. Physical Chemistry Chemical Physics : Pccp. 14: 16660-7. PMID 23069911 DOI: 10.1039/C2Cp42183F  0.688
2012 Lin CK, Zhao D, Gao WY, Yang Z, Ye J, Xu T, Ge Q, Ma S, Liu DJ. Tunability of band gaps in metal-organic frameworks. Inorganic Chemistry. 51: 9039-44. PMID 22838388 DOI: 10.1021/Ic301189M  0.632
2012 Ye J, Liu C, Ge Q. DFT Study of CO2 Adsorption and Hydrogenation on the In2O3 Surface Journal of Physical Chemistry C. 116: 7817-7825. DOI: 10.1021/Jp3004773  0.728
2012 Karakatsani S, Ge Q, Gladys MJ, Held G, King DA. Coverage-dependent molecular tilt of carbon monoxide chemisorbed on Pt{110}: A combined LEED and DFT structural analysis Surface Science. 606: 383-393. DOI: 10.1016/J.Susc.2011.10.025  0.4
2012 Yin S, Ge Q. Selective CO 2 hydrogenation on the γ-Al 2O 3 supported bimetallic Co-Cu catalyst Catalysis Today. 194: 30-37. DOI: 10.1016/J.Cattod.2012.01.011  0.441
2011 Pan Y, Mei D, Liu C, Ge Q. Hydrogen Adsorption on Ga2O3 Surface: A Combined Experimental and Computational Study Journal of Physical Chemistry C. 115: 10140-10146. DOI: 10.1021/Jp2014226  0.414
2011 Liu J, Yu J, Ge Q. Hydride-Assisted Hydrogenation of Ti-Doped NaH/Al: A Density Functional Theory Study Journal of Physical Chemistry C. 115: 2522-2528. DOI: 10.1021/Jp108651S  0.388
2011 Yin S, Swift T, Ge Q. Adsorption and activation of CO2 over the Cu–Co catalyst supported on partially hydroxylated γ-Al2O3 Catalysis Today. 165: 10-18. DOI: 10.1016/J.Cattod.2010.12.025  0.456
2010 Pan YX, Liu CJ, Mei D, Ge Q. Effects of hydration and oxygen vacancy on CO2 adsorption and activation on beta-Ga2O3(100). Langmuir : the Acs Journal of Surfaces and Colloids. 26: 5551-8. PMID 20047326 DOI: 10.1021/La903836V  0.415
2010 Pan Y, Kuai P, Liu Y, Ge Q, Liu C. Promotion effects of Ga2O3 on CO2 adsorption and conversion over a SiO2-supported Ni catalyst Energy and Environmental Science. 3: 1322-1325. DOI: 10.1039/C0Ee00149J  0.42
2010 Pan Y, Liu C, Ge Q. Effect of surface hydroxyls on selective CO2 hydrogenation over Ni4/γ-Al2O3: A density functional theory study Journal of Catalysis. 272: 227-234. DOI: 10.1016/J.Jcat.2010.04.003  0.423
2010 Mei D, Kwak JH, Szanyi J, Ge Q, Peden CHF. Catalyst size and morphological effects on the interaction of NO2 with BaO/γ-Al2O3 materials Catalysis Today. 151: 304-313. DOI: 10.1016/J.Cattod.2010.01.005  0.435
2009 Liu J, Ge Q. Hydrogen Interaction in Ti-Doped LiBH4 for Hydrogen Storage: A Density Functional Analysis. Journal of Chemical Theory and Computation. 5: 3079-87. PMID 26609987 DOI: 10.1021/Ct900287R  0.42
2009 Mei D, Ge Q, Kwak JH, Kim DH, Verrier C, Szanyi J, Peden CH. Characterization of surface and bulk nitrates of gamma-Al2O3-supported alkaline earth oxides using density functional theory. Physical Chemistry Chemical Physics : Pccp. 11: 3380-9. PMID 19421539 DOI: 10.1039/B819347A  0.421
2009 Liu J, Han Y, Ge Q. Effect of doped transition metal on reversible hydrogen release/uptake from NaAlH4. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 1685-95. PMID 19115295 DOI: 10.1002/Chem.200801045  0.356
2009 Han Y, Liu C, Ge Q. Effect of Pt Clusters on Methanol Adsorption and Dissociation over Perfect and Defective Anatase TiO2(101) Surface Journal of Physical Chemistry C. 113: 20674-20682. DOI: 10.1021/Jp907399J  0.417
2009 Cheng L, Mei D, Ge Q. Origin of Support Effects on the Reactivity of a Ceria Cluster Journal of Physical Chemistry C. 113: 18296-18303. DOI: 10.1021/Jp906873T  0.512
2009 Lin C, Xu T, Yu J, Ge Q, Xiao Z. Hydrogen Spillover Enhanced Hydriding Kinetics of Palladium-Doped Lithium Nitride to Lithium Imide The Journal of Physical Chemistry C. 113: 8513-8517. DOI: 10.1021/Jp901598B  0.39
2009 Mei D, Ge Q, Szanyi J, Peden CHF. First-principles Analysis of NOx Adsorption on Anhydrous γ-Al2O3 Surfaces Journal of Physical Chemistry C. 113: 7779-7789. DOI: 10.1021/Jp8103563  0.414
2009 Yorisaki T, Tillekaratne A, Ge Q, Oshima C, Otani S, Trenary M. Probing the properties of the (1 1 1) and (1 0 0) surfaces of LaB6 through infrared spectroscopy of adsorbed CO Surface Science. 603: 3011-3020. DOI: 10.1016/J.Susc.2009.08.005  0.399
2009 Pan Y, Liu C, Wiltowski TS, Ge Q. CO2 adsorption and activation over γ-Al2O3-supported transition metal dimers: A density functional study Catalysis Today. 147: 68-76. DOI: 10.1016/J.Cattod.2009.05.005  0.417
2008 Zhang Z, Rousseau R, Gong J, Li SC, Kay BD, Ge Q, Dohnálek Z. Vacancy-assisted diffusion of alkoxy species on rutile TiO2(110). Physical Review Letters. 101: 156103. PMID 18999618 DOI: 10.1103/Physrevlett.101.156103  0.314
2008 Pan Y, Liu CJ, Ge Q. Adsorption and protonation of CO2 on partially hydroxylated gamma-Al2O3 surfaces: a density functional theory study. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 12410-9. PMID 18834159 DOI: 10.1021/La802295X  0.435
2008 Cheng L, Ge Q. Effect of BaO morphology on NOX abatement: NO2 interaction with unsupported and γ-Al2O3-supported BaO Journal of Physical Chemistry C. 112: 16924-16931. DOI: 10.1021/Jp806884C  0.539
2008 Mei D, Ge Q, Kwak JH, Kim DH, Szanyi J, Peden CHF. Adsorption and Formation of BaO Overlayers on γ-Al2O3 Surfaces Journal of Physical Chemistry C. 112: 18050-18060. DOI: 10.1021/Jp806212Z  0.419
2008 Mei D, Deskins NA, Dupuis M, Ge Q. Density functional theory study of methanol decomposition on the CeO 2(110) surface Journal of Physical Chemistry C. 112: 4257-4266. DOI: 10.1021/Jp710484B  0.423
2007 Zhang Z, Ge Q, Li SC, Kay BD, White JM, Dohnálek Z. Imaging intrinsic diffusion of bridge-bonded oxygen vacancies on TiO2(110). Physical Review Letters. 99: 126105. PMID 17930526 DOI: 10.1103/Physrevlett.99.126105  0.37
2007 Han Y, Liu C, Ge Q. Effect of Surface Oxygen Vacancy on Pt Cluster Adsorption and Growth on the Defective Anatase TiO2(101) Surface Journal of Physical Chemistry C. 111: 16397-16404. DOI: 10.1021/Jp075602K  0.446
2007 Mei D, Deskins NA, Dupuis M, Ge Q. Methanol Adsorption on the Clean CeO2(111) Surface: A Density Functional Theory Study Journal of Physical Chemistry C. 111: 10514-10522. DOI: 10.1021/Jp072181Y  0.401
2007 Cheng L, Ge Q. Effect of γ-Al2O3 substrate on NO2 interaction with supported BaO clusters Surface Science. 601. DOI: 10.1016/J.Susc.2007.04.112  0.501
2007 Meyer R, Ge Q, Lockemeyer J, Yeates R, Lemanski M, Reinalda D, Neurock M. An ab initio analysis of adsorption and diffusion of silver atoms on alumina surfaces Surface Science. 601: 134-145. DOI: 10.1016/J.Susc.2006.09.028  0.395
2007 Liu J, Ge Q. A first-principles study of Sc-doped NaAlH4 for reversible hydrogen storage Journal of Alloys and Compounds. 446: 267-270. DOI: 10.1016/J.Jallcom.2007.01.052  0.33
2006 Ge Q, Neurock M. Adsorption and activation of CO over flat and stepped Co surfaces: a first principles analysis. The Journal of Physical Chemistry. B. 110: 15368-80. PMID 16884257 DOI: 10.1021/Jp060477I  0.423
2006 Liu J, Ge Q. A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4. Chemical Communications (Cambridge, England). 1822-4. PMID 16622495 DOI: 10.1039/B600679E  0.368
2006 Han Y, Liu CJ, Ge Q. Interaction of Pt clusters with the anatase TiO(2)(101) surface: a first principles study. The Journal of Physical Chemistry. B. 110: 7463-72. PMID 16599526 DOI: 10.1021/Jp0608574  0.452
2006 Ge Q, Song C, Wang L. A density functional theory study of CO adsorption on Pt-Au nanoparticles Computational Materials Science. 35: 247-253. DOI: 10.1016/J.Commatsci.2005.05.003  0.405
2005 Song C, Ge Q, Wang L. DFT studies of Pt/Au bimetallic clusters and their interactions with the CO molecule. The Journal of Physical Chemistry. B. 109: 22341-50. PMID 16853910 DOI: 10.1021/Jp0546709  0.38
2004 Mei D, Ge Q, Neurock M, Kieken L, Lerou J. First-principles-based kinetic Monte Carlo simulation of nitric oxide decomposition over Pt and Rh surfaces under lean-burn conditions Molecular Physics. 102: 361-369. DOI: 10.1080/00268970410001668471  0.415
2004 Tai J, Ge Q, Davis RJ, Neurock M. Adsorption of CO 2 on model surfaces of cesium oxides determined from first principles Journal of Physical Chemistry B. 108: 16798-16805. DOI: 10.1021/Jp048933V  0.435
2003 Cao Y, Ge Q, Dyer DJ, Wang L. Steric Effects on the Adsorption of Alkylthiolate Self-Assembled Monolayers on Au (111) † Journal of Physical Chemistry B. 107: 3803-3807. DOI: 10.1021/Jp021989+  0.368
2002 Titmuss S, Johnson K, Ge Q, King DA. Structure, bonding, and anharmonic librational motion of CO on Ir{100} The Journal of Chemical Physics. 116: 8097-8105. DOI: 10.1063/1.1469598  0.367
2002 Ge Q, Neurock M. Correlation of adsorption energy with surface structure: Ethylene adsorption on Pd surfaces Chemical Physics Letters. 358: 377-382. DOI: 10.1016/S0009-2614(02)00669-3  0.41
2002 Ciobîcǎ IM, Kramer GJ, Ge Q, Neurock M, Van Santen RA. Mechanisms for chain growth in Fischer-Tropsch synthesis over Ru(0001) Journal of Catalysis. 212: 136-144. DOI: 10.1006/Jcat.2002.3742  0.347
2001 Jenkins SJ, Ge Q, King DA. Covalent origin of adsorbate-induced demagnetization at ferromagnetic surfaces Physical Review B. 64. DOI: 10.1103/Physrevb.64.012413  0.356
2001 Ge Q, Desai S, Neurock M, Kourtakis K. CO adsorption on Pt-Ru surface alloys and on the surface of Pt-Ru bulk alloy Journal of Physical Chemistry B. 105: 9533-9536. DOI: 10.1021/Jp011144I  0.349
2001 Johnson K, Ge Q, Sauerhammer B, Titmuss S, King D. The structure of carbon adsorbed on Ir{100}: LEED I–V analysis and benchmarking of DFT Surface Science. 478: 49-56. DOI: 10.1016/S0039-6028(00)01092-X  0.357
2000 Johnson K, Ge Q, Titmuss S, King DA. Unusual bridged site for adsorbed oxygen adatoms: Theory and experiment for Ir{100}–(1×2)–O The Journal of Chemical Physics. 112: 10460-10466. DOI: 10.1063/1.481709  0.379
2000 Ge Q, Kose R, King DA. Adsorption energetics and bonding from femtomole calorimetry and from first principles theory Advances in Catalysis. 45: 207-259. DOI: 10.1016/S0360-0564(02)45015-8  0.39
2000 Ge Q, Jenkins S, King D. Localisation of adsorbate-induced demagnetisation: CO chemisorbed on Ni{110} Chemical Physics Letters. 327: 125-130. DOI: 10.1016/S0009-2614(00)00850-2  0.383
1999 Ge Q, King DA. Surface diffusion potential energy surfaces from first principles: CO chemisorbed on Pt{110} The Journal of Chemical Physics. 111: 9461-9464. DOI: 10.1063/1.480275  0.388
1999 Ge Q, Brown WA, Sharma RK, King DA. NO monomer and (NO)x polymeric chain chemisorption on Pt{110}: Structure and energetics Journal of Chemical Physics. 110: 12082-12088. DOI: 10.1063/1.479143  0.379
1999 Ge Q, King DA. The chemisorption and dissociation of ethylene on Pt{111} from first principles The Journal of Chemical Physics. 110: 4699-4702. DOI: 10.1063/1.478356  0.373
1999 Brown WA, Sharma RK, Ge Q, King DA. Multilayer influences on the monolayer structure for NO on Pt{110}-(1×2) Physical Chemistry Chemical Physics. 1: 1995-2000. DOI: 10.1039/A900850K  0.382
1999 Brown WA, Ge Q, Sharma RK, King DA. Lateral potential energy surfaces for molecular chemisorption on metals from experiment and theory: NO on Pt?110?-(1×2) Chemical Physics Letters. 299: 253-259. DOI: 10.1016/S0009-2614(98)01272-X  0.406
1998 Zhou W, Thomas JM, Shephard DS, Johnson BFG, Ozkaya D, Maschmeyer T, Bell RG, Ge Q. Ordering of ruthenium cluster carbonyls in mesoporous silica Science (New York, N.Y.). 280: 705-8. PMID 9563939 DOI: 10.1126/Science.280.5364.705  0.309
1998 Ali T, Klötzer B, Walker AV, Ge Q, King DA. Surface kinetics of a nonlinear oxygen-induced (1×5)→(1×1) phase transition on Ir{100} The Journal of Chemical Physics. 109: 9967-9976. DOI: 10.1063/1.477663  0.368
1998 Ge Q, King DA, Marzari N, Payne MC. First principles calculation of the energy and structure of two solid surface phases on Ir{100} Surface Science. 418: 529-535. DOI: 10.1016/S0039-6028(98)00764-X  0.313
1998 Papageorgopoulos DC, Ge Q, King DA. Kinetics of ethylene conversion to ethylidyne on Rh{111} from laser-induced thermal desorption Surface Science. 397: 13-22. DOI: 10.1016/S0039-6028(97)00642-0  0.348
1998 Ge Q, King D. Energetics, geometry and spin density of NO chemisorbed on Pt{111} Chemical Physics Letters. 285: 15-20. DOI: 10.1016/S0009-2614(97)01467-X  0.354
1997 Pasteur AT, Dixon-Warren SJ, Ge Q, King DA. Dynamics of hydrogen dissociation on Pt{100}: Steering, screening and thermal roughening effects Journal of Chemical Physics. 106: 8896-8904. DOI: 10.1063/1.473953  0.357
1997 Ge Q, Hu P, King DA, Lee MH, White JA, Payne MC. Site symmetry dependence of repulsive interactions between chemisorbed oxygen atoms on Pt{100}-(1×1) Journal of Chemical Physics. 106: 1210-1215. DOI: 10.1063/1.473217  0.372
1997 Papageorgopoulos DC, Ge Q, Nimmo S, King DA. Thermal Conversion of Chemisorbed Acetylene to Vinylidene and Hydrogenation to Ethylidyne on Rh{111}: A Laser Induced Desorption Study Journal of Physical Chemistry B. 101: 1999-2005. DOI: 10.1021/Jp962865Y  0.402
1996 Nerlov J, Ge Q, Møller PJ. Resonant photoemission from TiO2(110) surfaces: implications on surface bonding and hybridization Surface Science. 348: 28-38. DOI: 10.1016/0039-6028(95)00990-6  0.367
1995 Ge Q, Møller PJ. A study of Cu growth on an yttria-stabilized ZrO2(100) surface Thin Solid Films. 254: 10-15. DOI: 10.1016/0040-6090(94)06232-A  0.313
1995 Hoogers G, Papageorgopoulos DC, Ge Q, King DA. Self-acceleration in the decomposition of acetic acid on Rh{111}: a combined TPD and laser induced desorption study Surface Science. 340: 23-35. DOI: 10.1016/0039-6028(95)00673-7  0.394
1994 Ge Q, Møller PJ. CO adsorption on clean and atomic-layer-Cu-covered ZnO(101̄0) surfaces Applied Surface Science. 82: 305-309. DOI: 10.1016/0169-4332(94)90232-1  0.381
1994 Wang L, Ge Q, Billing GD. Molecular dynamics study of H2 diffusion on a Cu(111) surface Surface Science. 301: 353-363. DOI: 10.1016/0039-6028(94)91315-3  0.303
1994 Wang L, Ge Q, Billing GD. Study of the surface diffusion of CO on Pt(111) by MD simulation Surface Science. 304. DOI: 10.1016/0039-6028(94)90742-0  0.37
1992 Ge Q, Wang L, Billing GD. Inelastic scattering and chemisorption of CO on a Cu(111) surface Surface Science. 277: 237-245. DOI: 10.1016/0039-6028(92)90764-W  0.337
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