(last updated 2020)

  1. A. P. Monasterial, C. A. Hinderks, S. Viriyavaree, M. M. Montemore. When more is less: Nonmonotonic trends in adsorption on clusters in alloy surfaces. J. Chem. Phys.153 (2020) 111102 (Communication)

  2. N. Janvelyan, M. A. van Spronsen, C. H. Wu, Z. Qi, M. M. Montemore, J. Shan, D. N. Zakharov, F. Xu, J. A. Boscoboinik, M. B. Salmeron, E. A. Stach, M. Flytzani-Stephanopoulos, J. Biener, C. M. Friend. Stabilization of a nanoporous NiCu dilute alloy catalyst for non-oxidative ethanol dehydrogenation. Catal. Sci. Tech. 10 (2020) 5207

  3. M. M. Montemore, C. F. Nwaokorie, G. O. Kayode. General Screening of Surface Alloys for Catalysis. Catal. Sci. Tech. 10 (2020) 4467

  4. R. Santana, R. Zuluaga, P. Gañán, S. Arrasate, E. Onieva, M. M. Montemore, and H. González-Díaz. PTML Model for Selection of Nanoparticle, Anticancer Drug, and Vitamin in the Design of Drug-Vitamin Nanoparticle Release Systems for Cancer Co-Therapy. Mol. Pharmaceutics 17 (2020) 2612

  5. G. Sensoy and M. M. Montemore. Density Functional Theory Investigation of Oxidation Intermediates on Gold and Gold–Silver Surfaces. J. Phys. Chem. C 124 (2020) 8843

  6. B. Zugic, M. A. van Spronsen, C. Heine, M. M. Montemore, Y. Li, D. N. Zakharov, S. Karakalos, B. Lechner, E. Crumlin, M. M. Biener, A. I. Frenkel, J. Biener, E. A. Stach, M. B. Salmeron, E. Kaxiras, R. J.  Madix, C. M. Friend. Evolution of steady-state material properties during catalysis: Oxidative coupling of methanol over nanoporous Ag0.03 Au0.97. J. Catal. 380 (2019) 366

  7. J. Liu∗, M. Uhlman∗, M. M. Montemore∗, A. Trimpalis, G. Giannakakis, J. Shan, S. Cao, R. Hannagan, E. C. H. Sykes, M. Flytzani-Stephanopolous. [*Denotes equal contributions]. An integrated catalysis-surface science-theory approach to understand selectivity in the hydrogenation of 1-hexyne to 1-hexene on Pd-Au single-atom alloy catalysts. ACS Catal. 9 (2019) 8757

  8. R. Hoyt∗, M. M. Montemore∗, I. Fampiou, W. Chen, E. Kaxiras [*Denotes equal contributions] Machine Learning Prediction of H Adsorption Energies on Ag Alloys. J. Chem. Inf. Model. 59 (2019) 1357

  9. M. M. Montemore, R. Hoyt, G. Kolesov, E. Kaxiras. Reaction-Induced Excitations and their Effect on Surface Chemistry. ACS Catal.  8 (2018) 10358.

  10. F. Xu, M. M. Montemore, C. O'Connor, E. Muramoto, R. J. Madix, C. M. Friend. Oxygen Adsorption on Spontaneously Reconstructed Au(511). Surf. Sci. 679 (2019) 296

  11. R. Hoyt, M. M. Montemore, E. C. H. Sykes, E. Kaxiras. Anhydrous Methanol and Ethanol Dehydrogenation at Cu(111) Step Edges. J. Phys. Chem. C. 122 (2018) 21952

  12. R. Hoyt, M. M. Montemore, E. Kaxiras. Nonadiabatic Hydrogen Dissociation on Copper Nanoclusters. J. Phys. Chem. Lett. 9 (2018) 5339

  13. W. Chen, E. D. Cubuk, M. M. Montemore, C. Reece, R. J. Madix, C. M. Friend, E. Kaxiras. A Comparative Ab Initio Study of Anhydrous Dehydrogenation of Linear-Chain Alcohols on Cu(110). J. Phys. Chem. C 122, (2018) 7806

  14. M. M. Montemore, M. A. van Spronsen, R. J. Madix, C. M. Friend. O2 Activation by Metal Surfaces: Implications for Bonding and Reactivity on Heterogeneous Catalysts. Chem. Rev. 118 (2017) 2816

  15. M. M. Montemore, A. Montessori, S. Succi, C. Barroo, G. Falcucci, D. C. Bell, E. Kaxiras. Effect of nanoscale flows on the surface structure of nanoporous catalysts.  J. Chem. Phys. 146 (2017) 214703

  16. C. Barroo, M. M. Montemore, N. Janvelyan, B. Zugic, A. J. Akey, A. P. Magyar, J. Ye, E. Kaxiras, J. Biener, D. C. Bell. Macroscopic 3D Nanoporosity Formation by Dry Oxidation of AgAu Alloys.  J. Phys. Chem. C 121 (2017) 5115

  17. M. M. Montemore,  E. D. Cubuk, J. E. Klobas, M. Schmid, R. J. Madix, C. M. Friend, E. Kaxiras. Controlling O coverage and stability by alloying Au and Ag. Phys. Chem. Chem. Phys. 18 (2016) 26844

  18. M. M. Montemore, O. Andreussi, and J. W. Medlin. Hydrocarbon Adsorption in an Aqueous Environment: A Computational Study of Alkyls on Cu(111). J. Chem. Phys. 145 (2016) 074702

  19. M. M. Montemore, R. J. Madix, E. Kaxiras. How does nanoporous gold dissociate molecular oxygen? J. Phys. Chem. C 120 (2016) 16636

  20. M. L. Personick, M. M. Montemore, E. Kaxiras, R. J. Madix, J. Biener, C. M. Friend. Catalyst design for enhanced sustainability through fundamental surface chemistry. Philos. Trans. R. Soc. A 374 (2016) 20150077 (Chosen for cover)

  21. F. Hiebel, M. M. Montemore, E. Kaxiras, C. M. Friend. Direct visualization of quasi-ordered oxygen chain structures on Au(110)-(1x2)  Surf. Sci. 650 (2015) 5

  22. J. W. Medlin and M. M. Montemore. Scaling the rough heights. Nat. Chem. 7 (2015) 378

  23. T. D. Gould, M. M. Montemore, A. Lubers, L. D. Ellis, J. Falconer, J. W. Medlin. Enhanced Dry Reforming of Methane on Ni and Ni-Pt Catalysts Synthesized by Atomic Layer Deposition. Appl. Catal. A 492 (2015) 107

  24. M. M. Montemore and J. W. Medlin. A Unified Picture of Adsorption on Transition Metals Through Different Atoms.  J. Am. Chem. Soc. 136 (2014) 9272 (Communication, chosen for JACS Spotlight)

  25. M. M. Montemore and J. W. Medlin. Scaling Relations Between Adsorption Energies for Computational Screening and Design of Catalysts. Catal. Sci. & Technol. 4 (2014) 3748

  26. M. M. Montemore and J. W. Medlin. Predicting and Comparing C--M and O--M Bond Strengths for Adsorption on Transition Metal Surfaces. J. Phys. Chem. C 118 (2014) 2666

  27.  A. M. Robinson, M. M. Montemore, S. A. Tenney, P. Sutter, J. W. Medlin. Interactions of Hydrogen, CO, Oxygen, and Water with Molybdenum-Modified Pt(111). J. Phys. Chem. C 117 (2013) 26716

  28. M. M. Montemore and J. W. Medlin. Site-Specific Scaling Relations for Hydrocarbons on Hexagonal Transition Metal Surfaces. J. Phys. Chem. C 117 (2013) 20078

  29. M. B. Griffin, A. A. Rodriquez, M. M. Montemore, J. R. Monnier, C. T. Williams, J. W. Medlin. The selective oxidation of ethylene glycol and 1,2-propanediol on Au, Pd, and Au--Pd bimetallic catalysts. J. Catal. 307 (2013) 111

  30. M. M. Montemore and J. W. Medlin. A Simple, Accurate Model for Alkyl Adsorption on Late Transition Metals.  J. Phys. Chem. C 117 (2013) 2835

  31. M. M. Montemore and J. W. Medlin. A Density Functional Study of  C1-C4 Alkyl Adsorption on Cu(111). J. Chem. Phys. 136 (2012) 204710