Publications

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  1. 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, Accepted. http://onlinelibrary.wiley.com/doi/10.1002/adfm.201704559/full
  2. 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, Accepted.

  3. 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., 2017 Accepted. http://dx.doi.org/10.1039/C7CP06451A
  4. 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, Accepted

  5. 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, 2017, Accepted. http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.7b06956
  6. 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, https://link.springer.com/content/pdf/10.1007%2Fs11244-017-0855-4.pdf

  7. 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; http://pubs.rsc.org/en/content/articlelanding/2017/cy/c7cy00794a#!divAbs...

  8. 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, https://link.springer.com/content/pdf/10.1007%2Fs11244-017-0856-3.pdf

  9. 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., 2017, ASAP article, http://dx.doi.org/10.1021/acs.chemrev.7b00217

  10. 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. 2017, accepted for publication, DOI:10.1002/chem.201704552; http://dx.doi.org/10.1002/chem.201704552 

  11. 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., 2017, Article ASAP; DOI: 10.1021/acs.jpcb.7b04952; http://pubs.acs.org/doi/full/10.1021/acs.jpcb.7b04952

  12. 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., 2017, ASAP Article, DOI: 10.1021/acs.jpcb.7b04681; http://pubs.acs.org/doi/full/10.1021/acs.jpcb.7b04681

  13. Juarez, T;  Biener, J;  Weissmüller, J; , and Hodge, A.M., Nanoporous Metals with Structural Hierarchy: A ReviewAdv. Eng. Mater. 2017, ASAP Article, DOI:10.1002/adem.201700389; http://onlinelibrary.wiley.com/doi/10.1002/adem.201700389/full

  14. 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 

  15. 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

  16. 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. http://pubs.acs.org/doi/full/10.1021/acsami.7b05648

  17. 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), pp 12800–12806.http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.7b02957

  18. 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.  http://aip.scitation.org/doi/abs/10.1063/1.4984614

  19. 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. http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b1284

  20. Friend, C.M and Bingjun, X; Heterogeneous Catalysis - A Central Science for a Sustainable Future, Acc. Chem. Res.2017, 50 (3), 517–521http://pubs.acs.org/doi/abs/10.1021/acs.accounts.6b00510

  21. 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,  http://pubs.acs.org/doi/full/10.1021/acscatal.6b02693
  22. 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. http://www.nature.com/nmat/journal/v16/n5/full/nmat4824.html?foxtrotcall...
  23. 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. http://www.sciencedirect.com/science/article/pii/S0926337316309808
  24. 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), 15243–15250http://pubs.acs.org/doi/abs/10.1021/jacs.6b09450
  25. 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. http://pubs.acs.org/doi/abs/10.1021/jacs.6b06939
  26. 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.http://dx.doi.org/10.1016/j.jcat.2016.08.012
  27. 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), 6058–6063http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.6b02052
  28. 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

  29. 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. https://doi.org/10.1017/S1431927616002634

  30. 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. http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b03473

  31. 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. http://dx.doi.org/10.1016/j.susc.2016.03.017

  32. 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. http://www.nature.com/articles/ncomms13139

  33. 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.  http://pubs.acs.org/doi/abs/10.1021/acscatal.5b02902

  34. 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. http://dx.doi.org/10.1016/j.susc.2016.02.012

  35. 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.  https://arxiv.org/abs/1607.02874

  36. Montemore, M.M; Madix, R. J;  Kaxiras, E., How Does Nanoporous Gold Dissociate Molecular Oxygen? J. Phys. Chem. C, 2016, 120 (30), 16636–16640. http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b03371

  37. 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 http://pubs.rsc.org/en/Content/ArticleLanding/2016/FD/c5fd00161g#!divAbstract

  38. 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. 
    http://dx.doi.org/10.1016/j.susc.2016.02.010

  39. 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. http://dx.doi.org/10.1063/1.4946877

  40. 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, https://arxiv.org/abs/1512.08042

  41. 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.http://dx.doi.org/10.1016/j.jocs.2016.04.006

  42. 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. http://pubs.acs.org/doi/abs/10.1021/cr5002657 

  43. Montessori, A;  Prestininzi, P;  La Rocca, M;   Succi, S., Lattice Boltzmann approach for complex non equilibrium flowsPhy. Rev. E, 2015 92, 043308. http://journals.aps.org/pre/abstract/10.1103/PhysRevE.92.043308

  44. 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. http://dx.doi.org/10.1016/j.susc.2015.09.018

  45. 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. http://pubs.acs.org/doi/abs/10.1021/acscatal.5b01586

  46. 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. http://pubs.acs.org/doi/abs/10.1021/acscatal.5b00330

  47. 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. http://dx.doi.org/10.1016/j.jcat.2015.04.022

  48. 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 http://rsta.royalsocietypublishing.org/content/374/2061/20150077

  49. 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. http://journals.cambridge.org/fulltext_content/supplementary/MAM_V21_min...