1. Darby, M.; Reocreux, R.; Sykes, E. C.; Michaelides, A.; Stamatakis, M., Elucidating the Stability and Reactivity of Surface Intermediates on Single Atom Alloy Catalysts, ACS Catalysis, 2018, Just Accepted Manuscript, DOI: 10.1021/acscatal.8b00881

  2. Guo, X.-C.;  Alemozafar, A.R.;  Merrill, P.B.;  Madix, R.J.; Long-range Ordering of Stable, Surface-bound Intermediates: RAIRS, TPRS and STM Studies of Toluene Oxidation on Ag(110)Catalysis, Structure and Reactivity, 2018, Accepted.

  3. Chen, W.; Cubuk, E.; Montemore, M.M.; Reece, C.; Madix, R.J.; Friend, C.M.; Kaxiras, E., A Comparative Ab Initio Study of Anhydrous Dehydrogenation of Linear-Chain Alcohols on Cu(110), J. Phy. Chem C, 2018, DOI:10.1021/acs.jpcc.8b01698

  4. Giannakakis, G.; Trimpalis, A.; Shan, J.; Qi, Z.;  Cao, S.; Liu, J.; Biener, J.; Flytzani-Stephanopoulos, M., NiAu single atom alloys for the non-oxidative dehydrogenation of ethanol to acetaldehyde and hydrogen, Topics in Catalysis, 2018, DOI:10.1007/s11244-017-0883-0

  5. O’Connor, C.R.; Hiebel, F.; Chen, W.; Kaxiras, E.; Madix R. J.; and Friend, C.M., Identifying key descriptors in surface binding: Interplay of surface anchoring and intermolecular interactions for carboxylates on Au(110), Chem. Sci., 2018, accepted. DOI:10.1039/C7SC05313D 

  6. Shan, J.; Liu, J.; Li, M.; Lustig, S.; Lee, S.; Flytzani-Stephanopoulos, M., NiCu single atom alloys catalyze the C-H bond activation in the selective non-oxidative ethanol dehydrogenation reaction, Appl. Catal. B:Environmental, 2018, 226, 534-543.

  7. Marcincowski, D.; Darby, M.T.; Liu, J.; Wimble, J.; Lucci, F.; Lee, S.; Michaelides, A.; Flytzani-Stephanopoulos, M.; Stamatakis, M.; Sykes, E.C., PtCu single-atom alloys as coke-resistant catalysts for efficient C-H activation, Nature Chemistry, 2018, 10, 325-332

  8. Stone, A. L.; King, M. E.; McDarby, S. P.; Robertson, D. D.; Personick, M. L. Synthetic Routes to Shaped AuPt Core-Shell Particles with Smooth Surfaces Based on Design Rules for Au Nanoparticle Growth, Part. Part. Syst. Char. 2018In Press, DOI:10.1002/ppsc.201700401

  9. Shirman, E.; Shirman, T.;  Shneidman, A.V.; Grinthal, A.;  Phillips, K.R.;  Whelan, H.; Bulger, E.; Abramovitch, M.; Patil, J.; Nevarez, R.; Aizenberg, J., Modular Design of Advanced Catalytic Materials Using Hybrid Organic–Inorganic Raspberry Particles, Adv.Func.Mater., 2017, 189, 1704559 ​​​​​​

  10. Zhong, J-Q.; Wang, M.; Hoffmann, W.H.;  van Spronsen, M.A.; Lu, D.; Boscoboinik, J.A., Synchrotron-Based Ambient Pressure X-ray Photoelectron Spectroscopy of Hydrogen and Helium, Appl. Phy. Lett., 2018, 112, 091602

  11. Xu, F.; Fampiou, I.;  O’Connor, C.R.;  Karakalos, S.; Hiebel, F.,  Kaxiras, E.;  Madix, R.J.;  and Friend, C.M., Water facilitates oxygen migration on gold surfaces, Phys. Chem. Chem. Phys., 2018,20, 2196-2204

  12. Cheenicode Kabeer, F.; Chen, W.; Madix, R.; Friend, C.; Tkatchenko, A., First-Principles Study of Alkoxides Adsorbed on Au(111) and Au(110) Surfaces: Assessing the Roles of Non-Covalent Interactions and Molecular Structures in Catalysis​, ​J. Phy.Chem. C., 2017, 121 (50), 27905–27914.

  13. Niu, T.; Jiang, Z.; Zhu, Y.; Zhou, G.; Van Spronsen, M.; Tenney, S.; Boscoboinik, J.; Stacchiola, D., Oxygen-Promoted Methane Activation on Copper, J. Phy.Chem. B,  2018, 122 (2), 855–863

  14. Hiebel, F.;  Karakalos, S.;  Xu, Y.;  Friend, C.M.;  and Madix, R. J., Structural differentiation of the reactivity of alcohols with active oxygen on Au(110), Topics in Catalysis, 2017, ASAP article,

  15. Liu, J.; Shan, J.; Lucci, F. R.; Cao, S.; Sykes, E.C.H.; and Flytzani-Stephanopoulos, M., Palladium–gold single atom alloy catalysts for liquid phase selective hydrogenation of 1-hexyneCatal. Sci. Technol., 2017,7, 4276-4284;!divAbs...

  16. Wang, Z-T.;  · Hoyt, R.A.;  ·El‐Soda, M.; · Madix, R.J.; · Kaxiras, E.;· Sykes, E.C.H.,  Dry Dehydrogenation of Ethanol on Pt–Cu Single Atom AlloysTopics in Catalysis, 2017, ASAP article,

  17. Montemore, M.M.; van Spronsen, M.; Madix, R.J.; and Friend, C.M., O2 Activation by Metal Surfaces:  Implications for Bonding and Reactivity on Heterogeneous Catalysts, Chem.Rev., 2018, 118 (5), 2816–2862,

  18. Shirman, T., Lattimer, J., Luneau, M., Shirman, E., Reece, C., Aizenberg, M., Madix, R.J., Aizenberg, J., Friend, C. M., New architectures for designed catalysts:  Selective oxidation using AgAu nanoparticles on colloid-templated silica,  Chem. Eur. J. 2018, 24 (8), 1833–1837 DOI:10.1002/chem.201704552; 

  19. Xu, Y.; Chen, W.; Kaxiras, E.; Friend, C. M.; Madix, R. J., General Effect of van der Waals Interactions on the Stability of Alkoxy Intermediates on Metal Surfaces,  J. Phys. Chem. B., 2018, 122 (2), 555–560 DOI: 10.1021/acs.jpcb.7b04952;

  20. Eren, B; Kersell, H; Weatherup, R; Heine, C; Crumlin, E; Friend, C; and Salmeron, M., Structure of the Clean and Oxygen-Covered Cu(100) Surface at Room Temperature in the Presence of Methanol Vapor in the 10 to 200 mTorr Pressure Range, J. Phy. Chem., 2018, 122(2):548-554 DOI: 10.1021/acs.jpcb.7b04681;

  21. Juarez, T;  Biener, J;  Weissmüller, J; , and Hodge, A.M., Nanoporous Metals with Structural Hierarchy: A ReviewAdv. Eng. Mater. 2017, 19(12), 1700389. DOI:10.1002/adem.201700389;

  22. Barroo, C; Akey, A.J; Shan, J.J;  Flytzani-Stephanopoulos, M; and Bell. D.C.,  Sample Preparation and Analysis of Aggregated ‘Single Atom Alloy’ Nanoparticles by Atom Probe Tomography. Microsc. Microanal. 23 (Suppl 1), 2017, 1906-1907. DOI:10.1017/S1431927617010194 

  23. Barroo, C; Egle, T; Akey, A.J; Bell D.C; and Biener, J., Microstructure and Crystallographic Determination of Nanoporous Catalysts. Microsc. Microanal. 23 (Suppl 1), 2017, 2108-2109. DOI:10.1017/S1431927617011205

  24. Egle, T;  Barroo, C;  Janvelyan, N;  Baumgaerte, A.C;  Akey,  A.J; Biener, M.M;  Friend, C.M;  Bell D.C; and Biener, J., Multiscale Morphology of Nanoporous Copper Made from Intermetallic Phases, ACS Appl. Mater. Interfaces, Article ASAP, 2017, 9 (30), 25615–25622​​​​​​.​

  25. Wang, Z-T; Xu, Y-F; El-Soda, M; Lucci, F; Madix, R. J; Friend, C.M; Sykes, E. C., Surface Structure Dependence of the Dry Dehydrogenation of Alcohols on Cu(111) and Cu(110), J. Phys. Chem. C2017, 121 (23), 12800–12806.

  26. Montemore, M;  Montessori, A;  Succi, S;  Barroo, C;  Falcucci, G;  Bell, D.C; and Kaxiras, E., Effect of nanoscale flows on the surface structure of nanoporous catalysts, J. Chem. Phy., 2017, 146, 214703.

  27. Barroo, C; Montemore, M; Janvelyan, N; Zugic, B; Akey, A; Magyar, A; Ye, J; Kaxiras, E; Biener, J; Bell, D. Macroscopic 3D Nanoporosity Formation by Dry Oxidation of AgAu Alloys, J. Phys. Chem. C2017, 121 (9), 5115–5122.

  28. Friend, C.M and Bingjun, X; Heterogeneous Catalysis - A Central Science for a Sustainable Future, Acc. Chem. Res.2017, 50 (3), 517–521

  29. Personick, M.L; Madix, R.J; Friend, C.M. Selective Oxygen-Assisted Reactions of Alcohols and Amines Catalyzed by Metallic Gold: Paradigms for the Design of Catalytic Processes, ACS Catal.2017, 7, 965–985,

  30. Zugic, B; Wang, L-C; Heine, C;  Zakharov, D. N;  Lechner, B.A.J;  Stach, E.A; Biener, J;  Salmeron, M; Madix, R.J; Friend, C.M., Dynamic Restructuring Drives Catalytic Activity on Nanoporous Gold-Silver Alloy Catalysts, Nat. Mater., 2017, 16, 558-564.

  31. Shan, J; Janvelyan, N; Friend, C; Biener, J; Flytzani-Stephanopoulos M., Selective non-oxidative dehydrogenation of ethanol to acetaldehyde and hydrogen on highly dilute NiCu alloysApplied Catalysis B:  Environmental., 2017, 205, 541-550.

  32. Karakalos, S; Xu, Y-F;   Kabeer, F.C; Chen, W.; Rodriguez-Reyes, J. C; Tkatchenko, A; Kaxiras, E;  Madix, R;  Friend, C.M., Non-Covalent Bonding Controls Selectivity in Heterogeneous Catalysis: Coupling Reactions on Gold,    J. Am. Chem. Soc.2016, 138 (46), 15243–15250

  33. Heine, C;  Lechner, B.A.J;  Bluhm, H;  Salmeron, M.,  Recycling of CO2: Probing the chemical state of the Ni(111) surface during the methanation reaction with ambient pressure x-ray photoelectron spectroscopy, J. Am. Chem. Soc.2016, 138 (40), 13246–13252.

  34. Wang, L-C; Personick, M.L; Fushimi, R;  Friend, C.M;  Madix, R.J.,  Active Sites for Methanol Partial Oxidation on Nanoporous Gold Catalysts, J. Catal., 2016, 344, 778–783.

  35. Zhou, Y; Chen, W; Cui, P; Zeng, J; Lin, Z; Kaxiras, E;  Zhang, Z., Enhancing the hydrogen activation reactivity of non-precious metal substrates via confined catalysis underneath graphene, Nano Lett.2016, 16 (10), 6058–6063

  36. Montemore, M;   Cubuk, E.D;    Klobas, J.E;   Schmid, M;    Madix, R.J;   Friend, C.M;   Kaxiras, E; Controlling O coverage and stability by alloying Au and AgPhys. Chem. Chem. Phys., 2016,18, 26844-26853.  DOI: 10.1039/C6CP05611C

  37. Barroo, C; Janvelyan, N; Zugic, B; Magyar, A.P;  Akey, A.J; Biener, J;  Friend, C.M;  Bell, D.C., Surface Modifications during a Catalytic Reaction: a Combined APT and FIB/SEM Analysis of Surface SegregationMicrosc. Microanal. 2016, 22 (Suppl 3), 356-357.

  38. Wang, Z-T; Matthew, T;  Andrew, J D; El-Soda, M;  Michaelides, A; Stamatakis, M;  Sykes, ECH., Preparation, Structure, and Surface Chemistry of Ni-Au Single Atom AlloysJ. Phys. Chem. C2016, 120 (25), 13574–13580.

  39. Karakalos, S; Stowers, K. J; Zugic, B; Biener, M; Biener, J; Madix, R. J;  Friend, C. M., Catalytic production of methyl acrylates by gold-mediated cross coupling of unsaturated aldehydes with methanol, Surf. Sci., 2016, 652, 58-66.

  40. Hiebel, F;  Shong, B;  Chen, W;  Kaxiras, E;  Friend, C.M.,  Self-Assembly of Acetate Adsorbates Drive Atomic Rearrangement on the Au(110) Surface,  Nature Comm., 2016, 7, 13139.

  41. Zugic, B; Karakalos, S; Stowers, K.J; Biener, M.M; Biener, J.J; Friend, C.M;  Madix, R.J., Continuous Catalytic Production of Methyl Acrylates from Unsaturated Alcohols by Nanoporous Gold: The Strong Effect of C=C Unsaturation on Reaction Selectivity, ACS Catalysis, 20166(3), 1833-1839.

  42. Heine, C; Baran, E; Lechner, B. A. G;  Salmeron, M.,  A Study of the O/Ag (111) system with scanning tunneling microscopy and x-ray photoelectron spectroscopy at ambient pressures, Surf. Sci., 2016, 652, 51-57.

  43. Falcucci, G; Montessori, A; Succi, S; Prestininzi, P; Zugic, B; Barroo, C; Biener, M.M; Biener, J; Bell, D.C;  Kaxiras, E., Mapping reactive flow patterns in monolithic nanoporous catalystsMicrofluid Nanofluid2016, 20(7),1-13.

  44. Montemore, M.M; Madix, R. J;  Kaxiras, E., How Does Nanoporous Gold Dissociate Molecular Oxygen? J. Phys. Chem. C, 2016, 120 (30), 16636–16640.

  45. Wang, L-C;  Friend, C.M;   Madix, R.J; Active site densities, oxygen activation and adsorbed reactive oxygen in alcohol activation on npAu catalysts, Faraday Discuss., 2016,188, 57-67!divAbstract

  46. Shan, J; Lucci, FR; Liu, J; Soda M; Marcinkowski MD; Allard LF; Sykes ECH; Flytzani-Stephanopoulos M., Water co-catalyzed selective dehydrogenation of methanol to formaldehyde and hydrogen, Surf. Sci., 2016, 650, 121-129.

  47. Nguyen, L;  Tao, F.,   Development of a reaction cell for in-situ/operando studies of surface of a catalyst under a reaction condition and during catalysisRev. Sci. Instrum. 2016, 87, 064101.

  48. Di Staso, G; Clercx, H.J.H; Succi, S; Toschi, F., DSMC-LBM mapping scheme for rarefied and non-rarefied gas flows, J. Comp. Sci., Accepted,

  49. Montessori, A; Prestininzi, P; La Rocca, M; Falcucci, G; Succi, S; Kaxiras, E., Effects of Knudsen diffusivity on the effective reactivity of nanoporous catalyst media,  J. Comp. Sci., 2016.

  50. Tao, F; Crozier, P., Atomic-Scale Observations of Catalyst Structures under Reaction Conditions and during Catalysis for Fundamental Understanding of Catalysis, Chem. Rev., 2016, 116, 3487−3539. 

  51. Montessori, A;  Prestininzi, P;  La Rocca, M;   Succi, S., Lattice Boltzmann approach for complex non equilibrium flowsPhy. Rev. E, 2015 92, 043308.

  52. Hiebel,  F; Montemore, M; Kaxiras, E; Friend, C.M; Direct visualization of quasi-ordered oxygen chain structures on Au(110)-(1 × 2) Surf. Sci., 2016, 650, 5-10.

  53. Biener, J; Biener, M; Madix, R.J; Friend, C.M., Nanoporous Gold: Understanding the Origin of the Reactivity of a 21st Century Catalyst Made by Pre-Columbian Technology ACS Catal., 2015, 5, 6263–6270.

  54. Personick, M.L; Zugic, B; Biener, M.M; Biener, J; Madix, R.J; Friend, C.M; Ozone-Activated Nanoporous Gold: A Stable and Storable Material for Catalytic Oxidation ACS Catal.2015, 5 (7), 4237–4241.

  55. Wang, L-C; Stowers, K.J; Zugic, B; Personic, M.L; Biener, M; Biener, J; Friend, C.M; Madix, R.J., Exploiting basic principles to control the selectivity of the vapor phase catalytic oxidative cross-coupling of primary alcohols over nanoporous gold catalysts, J. Catal., 2015, 329, 78-86.

  56. Personick, ML; Montemore, M; Madix, RJ; Kaxiras, E; Biener, J; Friend, CM., Catalyst design for enhanced sustainability through fundamental surface chemistry Phil. Trans. R. Soc. A., 2015, 374: 20150077

  57. Barroo, C; Magyar, A; Bell, D., Catalysis and Atom Probe Tomography: Recent Progresses and Future Developments towards the Analysis of Nanoporous Samples microsc.microanal, 2015, 21, 855-856.