Publications| Chemistry and Biochemistry | SIU

Southern Illinois University





Book Chapters:

  1. Ge, Q. "Mechanistic Understanding of Catalytic CO2 Activation from First Principles Theory", in "NEW AND FUTURE DEVELOPMENTS IN CATALYSIS: ACTIVATION OF CARBON DIOXIDE", pp. 49-79, Suib, S.L. (ed.), Elsevier B.V. 2013. DOI: 10.1016/B978-0-444-53882-6.00004-8.
  2. Liu, J.; Tyrrell, J. & Ge. Q. "Computational Nanostructure Design for Hydrogen Storage", in "Energy Efficiency and Renewable Energy through Nanotechnology", pp. 761-799, Zang, L.(ed.), Springer-Verlag London Limited 2011. DOI:10.1007/978-0-85729-638-2_22.
  3. Yin, S.; Pan, Y.-x.; Ge, Q. "A DFT investigation of the γ-Al2O3 supported Fe3Zn and Fe4 clusters as catalysts for CO2 adsorption and activation", Chap. 13 (p.197-208) in"Advances in CO2 Conversion and Utlization", Hu, Y.(ed.), ACS Symposium Series, American Chemical Society, Washington, DC, 2010.
  4. Liu, J.; Aeschleman, J.; Rajan L.M.; Che, C. & Ge, Q. “A comparative study of dehydrogenation energetics of B2H6, Al2H6 and Ga2H6 based on density functional theory”, in "Materials Issues in a Hydrogen Economy", pp. 234-43, Jena, P.; Kandalam, A. & Sun, Q (eds.), World Scientific, 2009, ISBN: 981-283-801-5.
  5. Song, X.; Ge, Q. & Yen, S.C., “An ab-initio study of mechanical behavior for (AlO)n Nanorods”, in “Nanomechanics of Materials and Structures”, pp. 23-32 Chuang, T.-J.; Andersen, P.M.; Wu, M.-K. & Hsieh, S (eds.), Springer Science, the Netherlands, 2006), ISBN:1402039506.
  6. Ge, Q.; Kose, R. & King, D.A. “Adsorption Energetics and Bonding from Femtomole Calorimetry and from First Principles Theory” in “Advance in Catalysis: Impact of Surface Science on Catalysis”, pp. 207-259, Vol. 45, Gates, B. C. & Knozinger, H. (eds.), Academic Press Inc, San Diego, 2000, ISBN: 0120078457; 0122772512.

Journal Publications:   


  1. Sun, K.; Fan, Z.; Rui, N.; Ye J.; Ge Q. & Liu, C.-j. Hydrogenation of CO2 to methanol over In2O3 Catalyst, J CO2 Utilization, 12, 1-6 (2015).
  2. Zhu, K.; Xia, Y.; Tang, M.; Wang, Z.-T.; Lyubinetsky, I.; Ge, Q.; Dohnalek, Z.; Park, K. & Zhang, Z., Low-Temperature Reductive Coupling of Formaldehyde on Rutile TiO2(110), J. Phys. Chem. C, 119, 18452-18457 (2015).
  3. Ye, J.; Ge, Q. & Liu, C.-j. Role of PdIn Bimetallic Particles in CO2 Reduction on Pd-In2O3/SiO2 Catalyst, Chem. Eng. Sci. 135, 193-201 (2015).
  4. Chen, C.; Chen, G.; Yang, F.; Wang, H.; Han, J.; Ge, Q. & Zhu, X.-L. Vapor phase hydrodeoxygenation and hydrogenation of m-cresol on silica supported Ni, Pd and Pt catalysts, Chem. Eng. Sci. 135, 145-154 (2015).
  5. Ge, Q. & M. Gutowski, A Comparative Study of Methanol Adsorption and Dissociation over WO3 (001) and ReO3 (001), Top. Catal. 58, 655-664 (2015).
  6. Wang, H.; Lv, J.; Zhu, X.; Liu, X.; Han, J. & Ge, Q. Efficient Hydrolytic Hydrogenation of Cellulose on Mesoporous HZSM-5 Supported Ru Catalysts, Top. Catal. 58, 623-632 (2015).
  7. Ge & Hu, Preface, Top. Catal. 58, 559 (2015).
  8. Zhu, K.; Xia, Y.; Tang, M.; Wang, Z.-T.; Jan B.; Lyubinetsky, I.; Ge, Q.; Dohnalek, Z.; Park, K. & Zhang, Z., Tracking Site-Specific C–C Coupling of Formaldehyde Molecules on Rutile TiO2(110), J. Phys. Chem. C, 119, 14267–14272 (2015).
  9. Cui, C.; Wang, H.; Zhu, X.; Han, J.; & Ge, Q. A DFT study of CO2 electrochemical reduction on Pb(211) and Sn(112), Science China Chemistry, 58, 607-613 (2015).
  10. 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, Int. J. Hydrogen Energy, 40, 5126-5134 (2015).
  11. 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 Catal. 5, 2009-16 (2015).
  12. Zhang, Z.; Tang, M.; Wang, Z.-T.; Xia, Y.; Park, K. T.; Lyubinetsky, I.; Dohnalek, Z. & Ge, Q. Imaging of Formaldehyde Adsorption and Diffusion on TiO2(110), Top. Catal. 58, 103-113 (2015).


  1. 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 Mesoporous Mater.  198, 215-222 (2014).
  2. Ye, J.; Liu, C.-j.; Mei, D. & Ge, Q. Methanol Synthesis from CO2 Hydrogenation over a Pd4/In2O3 Model Catalyst: A Combined DFT and Kinetic Study,  J. Catal. 317, 44-53 (2014).
  3.  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, Catal. Today, 233, 70-76 (2014).
  4.  Sun, Q.; Ye, J.; Liu, C.-j. & Ge, Q. In2O3 as a Promising Catalyst for CO2 Utilization: A Case Study with Reverse Water Gas Shift over In2O3, Greenhouse Gas Sci. Technol., 4, 140-144 (2014). 



  1. Xia, Y.; Murray, P.; Ali A; Ge, Q. & Zhang, Z. “Imaging reactions of acetone with oxygen adatoms on partially oxidized TiO2(110)”, Phys. Chem. Chem. Phys. 15, 13897-13901 (2013).
  2. Meng, Q.S.; Wang, T.; Liu, E.Z.; Ma, X.B.; Ge, Q. & Gong, J.L. “Understanding electronic and optical properties of anatase TiO2 photocatalysts co-doped with nitrogen and transition metals”, Phys. Chem. Chem. Phys. 15, 9549-9561 (2103).
  3. Ye, J.; Liu, C.-j.; Mei, D. & Ge Q. “Active Oxygen Vacancy Site for Methanol Synthesis from CO2 Hydrogenation on In2O3(110): A DFT Study”, ACS Catal. 3, 1296-1306 (2013).
  4. Liu, J.; Tyrrell, J.; Cheng, L. & Ge, Q. “First-Principles Studies on Hydrogen Desorption Mechanism of MgnH2n (n=3, 4)”, J. Phys. Chem. C. 117, 8099-8104 (2013).
  5. Xu, L. & Ge. Q. "Effect of defects and dopants in grapheme on hydrogen interaction in grapheme-supported NaAlH4", Int. J. Hydrogen Energy, 38, 3670-80 (2013).


  1. Ye, J.; Liu. C.-j. & Ge, Q. "A DFT study of methanol dehydrogenation on the PdIn(110) surface", Phys. Chem. Chem. Phys. 14, 16660-16667 (2012).
  2. Xia, Y.; Zhang, B.; Ye, J.; Ge, Q. & Zhang, Z. "Acetone-Assisted Oxygen Vacancy Diffusion on TiO2(110)", J. Phys. Chem. Lett. 3, 2970 (2012).
  3. Lin, C.-K.; Zhao, D.; Gao, W.-Y.; Yang, Z.; Ye, J.; Xu, T.; Ge, Q.; Ma, S. & Liu, D-J. Tunability of Band Gaps in Metal–Organic Frameworks, Inorganic Chemistry 51, 9039 (2012).
  4. Yin, S. & Ge, Q. Selective CO2 hydrogenation on the γ-Al2O3 supported bimetallic Co-Cu catalyst, Catal. Today, 194, 30 (2012).
  5. Ye, J.; Liu. C.-j.; & Ge, Q. DFT Study of CO2 Adsorption and Hydrogenation on the In2O3 Surface, J. Phys. Chem. C. 116, 7817 (2012).
  6. Mei, D. & Ge, Q. A DFT + U study of structure and reducibility of CenO2n−x (n≤4, 0 ≤ x ≤ n) nanoclusters, Comput. Theor. Chem. 987, 25 (2012).
  7. Karakatsani, S.; Ge, Q.; Gladys, M. J.; Held, G. & King, D. A. Coverage-dependent molecular tilt of carbon monoxide chemisorbed on Pt{110}: A combined LEED and DFT structural analysis, Surf. Sci. 606, 383 (2012).


  1. Liu, J. & Ge, Q. Using first-principles metadynamics simulation to predict new phases and probe phase transition of NaAlH4, J. Phys.: Condens. Matter 23, 345401 (2011).
  2. Pan, Y.; Mei, D.; Liu, C.-j. & Ge, Q. Hydrogen Adsorption on Ga2O3 Surface: A Combined Experimental and Computational Study, J. Phys. Chem. C 115, 10140 (2011).
  3. Liu J.; Yu, J. & Ge. Q. Hydride-Assisted Hydrogenation of Ti-Doped NaH/Al: A Density-Functional Theory Study, J. Phys. Chem. C 115, 2522 (2011). 

  4. Ge, Q.; Wang, J.-g. & Li, J. Special Issue Preface, Catal. Today, 165, 1 (2011).
  5. Yin, S.; Swift, T. & Ge, Q. Adsorption and activation of CO2 over the Cu-Co catalyst supported on partially hydroxylated γ-Al2O3, Catal. Today, 165, 10 (2011).


  1. Song X.; Ge, Q. & Yen, S.C. A first-principles study on the elastic properties of single-walled carbon nanotubes, Proc. IMechE, Part N: J. Nanoeng. & Nanosys., 223 181 (2010).
  2. Liu J.; Yu, J. & Ge. Q. Transition-Metal-Doped Aluminum Hydrides as Building Blocks for Supramolecular Assemblies, J. Phys. Chem. A 114, 12318 (2010).
  3. Pan, Y.; Kui, P.; Liu, Y.; Ge, Q. & Liu, C.-j.; Promotion effects of Ga2O3 on CO2 adsorption and conversion over a SiO2-supported Ni catalyst, Energy Environ. Sci. 3, 1322 (2010).
  4. Mei, D.; Kwak, J.H.; Szanyi, J.; Ge, Q. & Peden, C.H.F. Catalyst size and morphological effects on the interaction of NO2 with BaO/γ-Al2O3 materials, Catal. Today, 151, 304 (2010).
  5. Pan, Y.; Liu, C.-j. & Ge, Q. Effect of Surface Hydroxyls on Selective CO2 Hydrogenation over Ni4/γ-Al2O3: A Density Functional Theory Study, J. Catal. 272, 227 (2010). 

  6. Pan, Y.; Liu, C.-j.; Mei, D. & Ge, Q. Effect of Hydration and Oxygen Vacancy on CO2 Adsorption and Activation on β-Ga2O3(100), Langmuir, 26, 5551 (2010).
  7. Stone, D.; Liu, J.; Singh, D.P.; Muratore, C.; Voevodin, A.A.; Mishra, S.; Rebholz, C.; Ge, Q. & Aouadi, S.M. Layered atomic structures of double oxides for low shear strength at high temperatures, Scripta Materialia, 62, 735 (2010).


  1. Han, Y.; Liu, C.-j. & Ge, Q. Effect of Pt Clusters on Methanol Adsorption and Dissociation over Perfect and Defective Anatase TiO2(101) Surface, J. Phys. Chem. C. 113, 20674 (2009).
  2. Liu, J. & Ge, Q. Hydrogen interaction in Ti-doped LiBH4 for hydrogen storage: A density functional analysis, J. Chem. Theory Comput. 5, 3079-3087 (2009).
  3. Cheng, L.; Mei, D. & Ge, Q. Origin of Support Effects on the Reactivity of Ceria Cluster, J. Phys. Chem. C.  113, 18296 (2009).
  4. Yorisaki, T.; Tillekaratne, A.; Ge, Q.; Oshima, C.; Otani, S. & Trenary, M. Probing the Properties of the (111) and (100) Surfaces of LaB6 through Infrared Spectroscopy of Adsorbed CO, Surf. Sci. 603, 3011 (2009).
  5. Pan, Y.; Liu, C.-j.; Wiltowski, T. & Ge, Q. CO2 adsorption and activation over γ-Al2O3-supported transition metal dimers: A density functional study, Catalysis Today, 147, 68 (2009).
  6. Lin, C; Xu, T.; Yu, J.; Ge, Q. & Xiao, Z. Hydrogen Spillover Enhanced Hydriding Kinetics of Palladium-Doped Lithium Nitride to Lithium Imide, J. Phys. Chem. C. 113, 8513 (2009).
  7. Mei, D.; Ge, Q.; Szanyi, Y. & Peden, C. H. F. A First-principles Analysis of NOx Adsorption on Anhydrous γ-Al2O3 Surfaces, J. Phys. Chem. C. 113, 7779 (2009).
  8. Mei, D.; Ge, Q.; Kwak; J. H., Kim, D. H.; Verrier, C.; Szanyi, Y. & Peden, C. H. F., Characterization of surface and bulk nitrates of γ-Al2O3-supported alkaline earth oxides using density functional theory, PCCP, 11, 3380 (2009).
  9. Aouadi, S.M.; Paudel, Y.; Simonson, J.; Ge, Q.; Kohli, P.; Muratore, C. & Voevodin, A.A. Tribological Investigation of Adaptive Mo2N/MoS2/Ag Coatings with High Sulfur Content, Surface and Coatings Technology, 203, 1304 (2009).
  10. Liu, J.; Han, Y. & Ge, Q. Effect of Doped Transition Metal on Reversible Hydrogen Release/Uptake from NaAlH4, Chem. Eur. J., 15, 1685, (2009).


  1. Mei, D.; Ge, Q.; Kwak, J. H.; Kim, D. H.; Szanyi, Y. & Peden, C. H. F. Adsorption and Formation of BaO Overlayers on γ-Al2O3 Surfaces, J. Phys. Chem. C. 112, 18050 (2008).
  2. Pan, Y.; Liu, C.-j. & Ge, Q. Adsorption and Protonation of CO2 on Partially Hydroxylated γ-Al2O3 Surfaces: A Density Functional Theory Study, Langmuir, 24, 12410 (2008).
  3. Cheng, L. & Ge, Q. Effect of BaO Morphology on NOx Abatement: NO2 Interaction with Unsupported and γ-Al2O3-Supported BaO, J. Phys. Chem. C. 112, 16924 (2008).
  4. Zhang, Z.; Rousseau, R.; Gong, J.; Li, S.-C.; Kay, B.; Ge, Q. & Dohnalek, Z., Vacancy-assisted diffusion of alkoxy species on rutile TiO2(110), Phys. Rev. Lett., 101, 156103 (2008).
  5. Mei, D.; Deskins, N. A.; Dupuis, M. & Ge, Q. Density Functional Theory Study of Methanol Decomposition on the CeO2(110) Surface, J. Phys. Chem. C. 112, 4257 (2008).



  1. Han, Y.; C.-j. Liu & Ge, Q. Effect of Surface Oxygen Vacancy on Pt Cluster Adsorption and Growth on the Defective Anatase TiO2(101) Surface, J. Phys. Chem. C. 111, 16397 (2007).
  2. Zhang, Z.; Ge, Q.; Li, S.-C.; Kay, B. D.; White, J. M. & Dohnalek, Z. Imaging Intrinsic Diffusion of Bridge-Bonded Oxygen Vacancies on TiO2(110), Phys. Rev. Lett. 99, 126105 (2007).
  3. Liu, J. & Ge, Q. A first-principles study of Sc-doped NaAlH4 for reversible hydrogen storage, J. Alloys Compd. 446-447, 267-270 (2007).
  4. Mei, D.; Deskins, N. A.; Dupuis, M. & Ge, Q. Methanol Adsorption on the Clean CeO2(111) Surface: A Density Functional Theory Study, J. Phys. Chem. C. 111, 10514-10522 (2007).
  5. Cheng, L. & Ge, Q. Effect of γ-Al2O3 substrate on NO2 interaction with supported BaO clusters, Surf. Sci. Lett. 601, L65-L68 (2007).
  6. Mayer, R.; Ge, Q.; Lochmeyer, J.; Yeasts, R.; Lemanski, M.; Reinalda, D. & Neurock, M. An ab initio analysis of adsorption and diffusion of silver atoms on alumina surfaces, Surf. Sci. 601, 134-145 (2007).


  1. Liu, J. & Ge, Q. A First-Principles Analysis of Hydrogen Interaction in Ti-doped NaAlH4 Surfaces: Structure and Energetics, J. Phys. Chem. B. 110, 25863-25868 (2006).
  2. Ge, Q. & Neurock, M. The adsorption and activation of CO over flat and stepped Co surfaces: A first principles analysis, J. Phys. Chem. B. 110, 15368-15380 (2006).
  3. Song X.; Ge, Q.; Yen, S.C. & Ching, H.-K. A First Principles Study of Ultra Thin (AlO)n Nanorods: Mechanical Behavior under Tension and Compression, Proc. IMechE, Part N: J. Nanoeng. & Nanosys., 219 123–130 (2006).
  4. Liu, J. & Ge, Q.  A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4, Chem. Comm. 2006, 1822-1824 (2006).
  5. Han, Y.; Liu, C.-j. & Ge, Q.  Interaction of Pt clusters with anatase TiO2(101) surface: A first principles study, J. Phys. Chem. B. 110, 7463 (2006).
  6. Aouadi, S.M.; Basnyat, P.; Zhang, Y.; Ge, Q. & Filip, P. Grain boundary sliding mechanisms in ZrN-Ag, ZrN-Au, and ZrN-Pd nanocomposite films, Appl. Phys. Lett. 88, 021902 (2006).
  7. Ge, Q.; Song, C. & Wang, L. A density functional theory study of CO adsorption on Pt-Au nanoparticlesComput. Mater. Sci. 35, 247 (2006).


  1. Song, C.; Ge Q.&Wang L. DFT studies of Pt/Au bimetallic clusters and their interactions with CO molecule, J. Phys. Chem. B 109, 22341-22350 (2005).
  2. Aouadi, S.M.; Shreeman, P.K.; Ge, Q.; Xu, J. & Mishra, S. R. Correlation between interfacial electronic structure and mechanical properties of ZrN-Me (Me = Ag, Au, or Pd) nanocomposite films, Appl. Phys. Lett. 87, 041902–1-3 (2005).


  1. Tai, J.; Ge, Q.; Davis, R.J. & Neurock, M. Adsorption of CO2 on model surfaces of cesium oxides determined from first pinciples. J. Phys. Chem. B. 108, 16798-16804 (2004).
  2. Ge, Q. Structure and energetics of LiBH4 and its surfaces: A first principles study. J. Phys. Chem. A. 108, 8682-8690 (2004).
  3. Ge, Q. & Neurock, M. Structure dependence of NO adsorption and dissociation on platinum surfaces. J. Am. Chem. Soc. 126, 1551-1559 (2004).
  4. 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. Mol. Phys. 102, 361-369 (2004).


  1. Zhang, W. Q.; Ge, Q. & Wang, L. Structure effects on the energetic, electronic, and magnetic properties of palladium nanoparticles. J. Chem. Phys. 118, 5793-5801 (2003).
  2. Cao, Y.P.; Ge, Q.; Dyer, D.J. & Wang, L. Steric effects on the adsorption of alkylthiolate self-assembled monolayers on Au (111). J. Phys. Chem. B 107, 3803-3807 (2003).


2002 and earlier

  1. Wang, L. & Ge, Q. Studies of rhodium nanoparticles using the first principles density functional theory calculations. Chem. Phys. Lett. 366, 368-376 (2002).
  2. Titmuss, S.; Johnson, K.; Ge, Q. & King, D.A. Structure, bonding, and anharmonic librational motion of CO on Ir{100}. J. Chem. Phys. 116, 8097-8105 (2002).
  3. Ge, Q.; Neurock, M.; Wright, H.A. & Srinivasan, N. A first principles study of carbon-carbon coupling over the {0001} surfaces of Co and Ru. J. Phys. Chem. B 106, 2826-2829 (2002).
  4. Ge, Q. & Neurock, M. Correlation of adsorption energy with surface structure: ethylene adsorption on Pd surfaces. Chem. Phys. Lett. 358, 377-382 (2002).
  5. Ciobica, I.M.; Kramer, G.J.; Ge, Q.; Neurock, M. & van Santen, R.A. Mechanisms for chain growth in Fischer-Tropsch synthesis over Ru(0001). J. Catal. 212, 136-144 (2002).
  6. Watson, D. T. P.; Ge, Q. & King, D. A. Facile H-D exchange in adsorbed methylidyne on Pt{110}-(1x2) and deuteration to gaseous methane. J. Chem. Phys. 115, 11306-11316 (2001).
  7. Johnson, K.; Ge, Q.; Sauerhammer, B.; Titmuss, S. & King, D.A. The structure of carbon adsorbed on Ir{100}: LEED I-V analysis and benchmarking of DFT. Surf. Sci. 478, 49-56 (2001).
  8. Jenkins, S.J.; Ge, Q. & King, D.A. Covalent origin of adsorbate-induced demagnetization at ferromagnetic surfaces. Phys. Rev. B 64, 012413 (2001).
  9. Ge, Q. & King, D.A. Response to “Comment on ‘Surface diffusion potential energy surfaces from first principle’ J. Chem. Phys. 114, 1051 (2001)”, J. Chem. Phys. 114, 1053-1054 (2001).
  10. Ge, Q.; Desai, S.; Neurock, M. & Kourtakis, K. CO adsorption on Pt-Ru surface alloys and on the surface of Pt- Ru bulk alloy. J. Phys. Chem. B 105, 9533-9536 (2001).
  11. Johnson, K.; Ge, Q.; Titmuss, S. & King, D. A. Unusual bridged site for adsorbed oxygen adatoms: Theory and experiment for Ir{100}-(1x2)-O. J. Chem. Phys. 112, 10460-10466 (2000).
  12. Ge, Q.; Jenkins, S. J. & King, D. A. Localisation of adsorbate-induced demagnetisation: CO chemisorbed on Ni{110}. Chem. Phys. Lett. 327, 125-130 (2000).
  13. Ge, Q. & King, D.A. The chemisorption and dissociation of ethylene on Pt{111} from first principles. J. Chem. Phys. 110, 4699-4702 (1999).
  14. Ge, Q.; Brown, W.A.; Sharma, R.K. & King, D.A. NO monomer and (NO)x polymeric chain chemisorption on Pt{110}: Structure and energetics. J. Chem. Phys. 110, 12082-12088 (1999).
  15. Ge, Q. & King, D.A. Surface diffusion potential energy surfaces from first principles: CO chemisorbed on Pt{110}. J. Chem. Phys. 111, 9461-9464 (1999).
  16. Brown, W.A.; Ge, Q.; Sharma, R. K. & King, D.A. Lateral potential energy surfaces for molecular chemisorption on metals from experiment and theory: NO on Pt{110}-(1x2). Chem. Phys. Lett. 299, 253-259 (1999).
  17. Brown, W.A.; Sharma, R.K.; Ge, Q. & King, D.A. Multilayer influences on the monolayer structure for NO on Pt{110}-(1x2). Phys. Chem. Chem. Phys. 1, 1995-2000 (1999).
  18. Zhou, W.Z.; Thomas, J.M.; Shephard, D.S.; Johnson, B.F.G.; Ozkaya, D. Maschmeyer, T.; Bell, R.G. & Ge, Q. Ordering of ruthenium cluster carbonyls in mesoporous silica. Science 280, 705-708 (1998).
  19. Zhou, W.Z.; Hunter, H.M.A.; Wright, P.A.; Ge, Q. & Thomas, J. M. Imaging the pore structure and polytypic intergrowths in mesoporous silica. J. Phys. Chem. B 102, 6933-6936 (1998).
  20. Papageorgopoulos, D.C.; Ge, Q. & King, D.A. Kinetics of ethylene conversion to ethylidyne on Rh{111} from laser-induced thermal desorption. Surf. Sci. 397, 13-22 (1998).
  21. Ge, Q. & King, D.A. Energetics, geometry and spin density of NO chemisorbed on Pt{111}. Chem. Phys. Lett. 285, 15-20 (1998).
  22. Ge, Q.; King, D.A.; Marzari, N. & Payne, M.C. First principles calculation of the energy and structure of two solid surface phases on Ir{100}. Surf. Sci. 418, 529-535 (1998).
  23. Ali, T.; Klotzer, B.; Walker, A.V.; Ge, Q. & King, D.A. Surface kinetics of a nonlinear oxygen-induced (1×5)->(1×1) phase transition on Ir{100}. J. Chem. Phys. 109, 9967-9976 (1998).
  24. Pasteur, A.T.; DixonWarren, S.J.; Ge, Q. & King, D.A. Dynamics of hydrogen dissociation on Pt{100}: Steering, screening and thermal roughening effects. J. Chem. Phys. 106, 8896-8904 (1997).
  25. Papageorgopoulos, D.C.; Ge, Q.; Nimmo, S. & King, D.A. Thermal conversion of chemisorbed acetylene to vinylidene and hydrogenation to ethylidyne on Rh{111}: A laser induced desorption study. J. Phys. Chem. B 101, 1999-2005 (1997).
  26. Ge, Q.; Hu, P.; King, D. A.; Lee, M.-H.; White, J. A. & Payne, M. C. Site symmetry dependence of repulsive interactions between chemisorbed oxygen atoms on Pt{100}-(1×1). J. Chem. Phys. 106, 1210-1215 (1997).
  27. Nerlov, J.; Ge, Q. & Møller, P.J. Resonant photoemission from TiO2(110) surfaces: Implications on surface bonding and hybridization. Surf. Sci. 348, 28-38 (1996).
  28. Papageorgopoulos, D.C.; Ge, Q. & King, D.A. Synchronous thermal-desorption and decomposition of ethanol on Rh(111). J. Phys. Chem. 99, 17645-17649 (1995).
  29.  Hoogers, G.; Papageorgopoulos, D.C.; Ge, Q. & King, D.A. Self-acceleration in the decomposition of acetic-acid on Rh(111) - a combined TPD and laser-induced desorption study. Surf. Sci. 340, 23-35 (1995).
  30. Ge, Q. & Møller, P.J. A study of Cu growth on an yttria-stabilized ZrO2(100) surface. Thin Solid Films 254, 10-15 (1995).
  31. Wang, L.; Ge, Q. & Billing, G.D. Molecular-dynamics study of H2 diffusion on a Cu(111) surface. Surf. Sci. 301, 353-363 (1994).
  32. Wang, L.; Ge, Q. & Billing, G.D. Study of the surface-diffusion of CO on Pt(111) by MD simulation. Surf. Sci. 304, L413-L419 (1994).
  33. Ge, Q. & Møller, P.J. CO adsorption on clean and atomic-layer-Cu-covered ZnO(10(1)over-bar-0) Surfaces. Appl. Surf. Sci. 82-3, 305-309 (1994).
  34. Ge, Q.; Li, S. & Liao, H. Diffusion and kinetics of benzene hydrogenation over porous Ni/ g-Al2O3 catalyst. Chinese J.  Chem. Eng. 1, 213-222 (1993).
  35. Ge, Q.; Li, S. & Liao, H. Surface fractal structure of g-Al2O3. Huagong Xuebao (Chinese Edition) 44, 246-249 (1993).
  36. Ge, Q.; Wang, L. & Billing, G. D. Inelastic-scattering and chemisorption of CO on a Cu(111) surface. Surf. Sci. 277, 237-245 (1992).
  37. Ge, Q.R.; Xie, Z.; Kang, S. & Ge, Q. Reaction models of highly reactive powders. Huagong Xuebao (Chinese Edition) 41, 138-146 (1990).