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Ye Xu, Ph.D. - Publications

Affiliations: 
2013 Chemical Engineering Louisiana State University, Baton Rouge, LA, United States 
Area:
Computational Surface Science and Catalysis
Website:
https://compucat.lsu.edu/
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66 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
2024 Okafor A, Shelton WA, Xu Y. Hydrogen Adsorption on Ordered and Disordered Pt-Fe and Pt-Co Alloys. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 128: 11145-11158. PMID 39015416 DOI: 10.1021/acs.jpcc.4c01308  0.593
2021 McKay F, Fang Y, Kizilkaya O, Singh P, Johnson DD, Roy A, Young DP, Sprunger PT, Flake JC, Shelton WA, Xu Y. CoCrFeNi High-Entropy Alloy as an Enhanced Hydrogen Evolution Catalyst in an Acidic Solution. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 125: 17008-17018. PMID 34476039 DOI: 10.1021/acs.jpcc.1c03646  0.608
2021 Bhasker-Ranganath S, Rahman MS, Zhao C, Calaza F, Wu Z, Xu Y. Elucidating the Mechanism of Ambient-Temperature Aldol Condensation of Acetaldehyde on Ceria. Acs Catalysis. 11: 8621-8634. PMID 34306815 DOI: 10.1021/acscatal.1c01216  0.545
2020 Bercha S, Bhasker-Ranganath S, Zheng X, Beranová K, Vorokhta M, Acres RG, Skála T, Matolín V, Prince KC, Xu Y, Tsud N. Adsorption structure of adenine on cerium oxide Applied Surface Science. 530: 147257. DOI: 10.1016/J.Apsusc.2020.147257  0.314
2020 Xu Y, Grabow LC. Catalytic Encounters at the Molecular Level: Gabor A. Somorjai Award Symposium for Creative Research in Catalysis in Honor of Professor Manos Mavrikakis Topics in Catalysis. 63: 617-617. DOI: 10.1007/S11244-020-01348-2  0.578
2020 Zhang S, Johnson DD, Shelton WA, Xu Y. Hydrogen Adsorption on Ordered and Disordered Pt-Ni Alloys Topics in Catalysis. 63: 714-727. DOI: 10.1007/S11244-020-01338-4  0.305
2019 Abdel-Rahman M, Feng X, Muir M, Ghale K, Xu Y, Trenary M. Reaction pathways for HCN on transition metal surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 30776030 DOI: 10.1039/C8Cp07548D  0.348
2019 Fang Y, Cheng X, Flake JC, Xu Y. CO2 electrochemical reduction at thiolate-modified bulk Au electrodes Catalysis Science & Technology. 9: 2689-2701. DOI: 10.1039/C9Cy00506D  0.335
2018 Acres RG, Cheng X, Beranová K, Bercha S, Skála T, Matolín V, Xu Y, Prince KC, Tsud N. An experimental and theoretical study of adenine adsorption on Au(111). Physical Chemistry Chemical Physics : Pccp. PMID 29372205 DOI: 10.1039/C7Cp08102B  0.315
2018 Zhao C, Watt C, Kent PR, Overbury SH, Mullins DR, Calaza FC, Savara A, Xu Y. Coupling of Acetaldehyde to Crotonaldehyde on CeO2–x(111): Bifunctional Mechanism and Role of Oxygen Vacancies The Journal of Physical Chemistry C. 123: 8273-8286. DOI: 10.1021/Acs.Jpcc.8B08535  0.587
2018 Zhao C, Xu Y. Theoretical investigation of dephosphorylation of phosphate monoesters on CeO2(111) Catalysis Today. 312: 141-148. DOI: 10.1016/J.Cattod.2018.02.033  0.604
2017 Rawal SH, McKee WC, Xu Y. Estimation of electric field effects on the adsorption of molecular superoxide species on Au based on density functional theory. Physical Chemistry Chemical Physics : Pccp. 19: 32626-32635. PMID 29192706 DOI: 10.1039/C7Cp06242G  0.347
2017 Ma S, McKee WC, Wang J, Guo L, Jansen M, Xu Y, Peng Z. Mechanistic origin of low polarization in aprotic Na-O2 batteries. Physical Chemistry Chemical Physics : Pccp. PMID 28462412 DOI: 10.1039/C7Cp01928A  0.338
2017 DuchoÅ T, Aulická M, Schwier EF, Iwasawa H, Zhao C, Xu Y, Veltruská K, Shimada K, Matolín V. Covalent versus localized nature of 4 f electrons in ceria: Resonant angle-resolved photoemission spectroscopy and density functional theory Physical Review B. 95: 165124. DOI: 10.1103/Physrevb.95.165124  0.534
2017 Hensley AJR, Ghale K, Rieg C, Dang T, Anderst E, Studt F, Campbell CT, McEwen J, Xu Y. DFT-Based Method for More Accurate Adsorption Energies: An Adaptive Sum of Energies from RPBE and vdW Density Functionals The Journal of Physical Chemistry C. 121: 4937-4945. DOI: 10.1021/Acs.Jpcc.6B10187  0.316
2017 McKee WC, Patterson MC, Frick JR, Sprunger PT, Xu Y. Adsorption of transition metal adatoms on h-BN/Rh(111): Implications for nanocluster self-assembly Catalysis Today. 280: 220-231. DOI: 10.1016/J.Cattod.2016.09.030  0.349
2017 Zhao C, Xu Y. Simulated Temperature Programmed Desorption of Acetaldehyde on CeO2(111): Evidence for the Role of Oxygen Vacancy and Hydrogen Transfer Topics in Catalysis. 60: 446-458. DOI: 10.1007/S11244-016-0703-Y  0.603
2016 Hu G, Xu Y, Chen W, Wang J, Zhao C, Wang M. RNA Interference of IQ Motif Containing GTPase-Activating Protein 3 (IQGAP3) Inhibits Cell Proliferation and Invasion in Breast Carcinoma Cells. Oncology Research. 24: 455-461. PMID 28281966 DOI: 10.3727/096504016X14685034103635  0.469
2016 Guo L, Ma L, Zhang Y, Cheng X, Xu Y, Wang J, Wang E, Peng Z. Spectroscopic Identification of the Au-C Bond Formation upon Electro-reduction of an Aryl Diazonium Salt on Gold. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27744705 DOI: 10.1021/Acs.Langmuir.6B03206  0.314
2016 Zhang Y, Cui Q, Zhang X, McKee WC, Xu Y, Ling S, Li H, Zhong G, Yang Y, Peng Z. Amorphous Li2 O2 : Chemical Synthesis and Electrochemical Properties. Angewandte Chemie (International Ed. in English). PMID 27486085 DOI: 10.1002/Anie.201605228  0.327
2016 McKee WC, Patterson MC, Huang D, Frick JR, Kurtz RL, Sprunger PT, Liu L, Xu Y. CO Adsorption on Au Nanoparticles Grown on Hexagonal Boron Nitride/Rh(111) The Journal of Physical Chemistry C. 120: 10909-10918. DOI: 10.1021/Acs.Jpcc.6B01645  0.344
2016 Zhang Y, Zhang X, Wang J, McKee WC, Xu Y, Peng Z. Potential-Dependent Generation of O2 - and LiO2 and Their Critical Roles in O2 Reduction to Li2O2 in Aprotic Li-O2 Batteries Journal of Physical Chemistry C. 120: 3690-3698. DOI: 10.1021/Acs.Jpcc.5B12338  0.354
2015 Ma S, Wu Y, Wang J, Zhang Y, Zhang Y, Yan X, Wei Y, Liu P, Wang J, Jiang K, Fan S, Xu Y, Peng Z. On the Reversibility of Noble Metal-Catalyzed Aprotic Li-O2 Batteries. Nano Letters. PMID 26535791 DOI: 10.1021/Acs.Nanolett.5B03510  0.361
2015 Peng Z, Chen Y, Bruce PG, Xu Y. Direct Detection of the Superoxide Anion as a Stable Intermediate in the Electroreduction of Oxygen in a Non-Aqueous Electrolyte Containing Phenol as a Proton Source. Angewandte Chemie (International Ed. in English). 54: 8165-8. PMID 26013064 DOI: 10.1002/Anie.201502039  0.368
2015 Calaza FC, Chen TL, Mullins DR, Xu Y, Overbury SH. Reactivity and reaction intermediates for acetic acid adsorbed on CeO2(1 1 1) Catalysis Today. 253: 65-76. DOI: 10.1016/J.Cattod.2015.03.033  0.333
2014 Yang M, Li S, Wang Y, Herron JA, Xu Y, Allard LF, Lee S, Huang J, Mavrikakis M, Flytzani-Stephanopoulos M. Catalytically active Au-O(OH)x-species stabilized by alkali ions on zeolites and mesoporous oxides. Science (New York, N.Y.). 346: 1498-501. PMID 25431492 DOI: 10.1126/Science.1260526  0.544
2014 Dathar GK, Tsai YT, Gierszal K, Xu Y, Liang C, Rondinone AJ, Overbury SH, Schwartz V. Identifying active functionalities on few-layered graphene catalysts for oxidative dehydrogenation of isobutane. Chemsuschem. 7: 483-91. PMID 24464945 DOI: 10.1002/Cssc.201301006  0.363
2014 Patterson MC, Habenicht BF, Kurtz RL, Liu L, Xu Y, Sprunger PT. Formation and stability of dense arrays of Au nanoclusters on hexagonal boron nitride/Rh(111) Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.205423  0.31
2014 Wolcott CA, Green IX, Silbaugh TL, Xu Y, Campbell CT. Energetics of adsorbed CH2 and CH on Pt(111) by calorimetry: The dissociative adsorption of diiodomethane Journal of Physical Chemistry C. 118: 29310-29321. DOI: 10.1021/Jp505494A  0.305
2014 Spivey JJ, Krishna KS, Kumar CSSR, Dooley KM, Flake JC, Haber LH, Xu Y, Janik MJ, Sinnott SB, Cheng YT, Liang T, Sholl DS, Manz TA, Diebold U, Parkinson GS, et al. Synthesis, characterization, and computation of catalysts at the center for atomic-level catalyst design Journal of Physical Chemistry C. 118: 20043-20069. DOI: 10.1021/Jp502556U  0.619
2014 Silbaugh TL, Giorgi JB, Xu Y, Tillekaratne A, Zaera F, Campbell CT. Adsorption energy of tert -butyl on Pt(111) by dissociation of tert -butyl iodide: Calorimetry and DFT Journal of Physical Chemistry C. 118: 427-438. DOI: 10.1021/Jp4097716  0.3
2014 Yu J, Xu Y, Guliants VV. Propane ammoxidation over Mo-V-Te-Nb-O M1 phase: Density functional theory study of propane oxidative dehydrogenation steps Catalysis Today. 238: 28-34. DOI: 10.1016/J.Cattod.2014.02.053  0.36
2014 Yu J, Xu Y, Guliants VV. Propane ammoxidation over Mo-V-Te-Nb-O M1 phase investigated by DFT: Elementary steps of ammonia adsorption, activation and NH insertion into π-allyl intermediate Topics in Catalysis. 57: 1145-1151. DOI: 10.1007/S11244-014-0280-X  0.375
2014 Habenicht BF, Teng D, Semidey-Flecha L, Sholl DS, Xu Y. Adsorption and diffusion of 4d and 5d transition metal adatoms on graphene/Ru(0001) and the implications for cluster nucleation Topics in Catalysis. 57: 69-79. DOI: 10.1007/S11244-013-0163-6  0.317
2013 Semidey-Flecha L, Teng D, Habenicht BF, Sholl DS, Xu Y. Adsorption and diffusion of the Rh and Au adatom on graphene moiré/Ru(0001). The Journal of Chemical Physics. 138: 184710. PMID 23676067 DOI: 10.1063/1.4803893  0.3
2013 Lee J, Xu Y, Huber GW. High-throughput screening of monometallic catalysts for aqueous-phase hydrogenation of biomass-derived oxygenates Applied Catalysis B: Environmental. 140: 98-107. DOI: 10.1016/J.Apcatb.2013.03.031  0.357
2012 Dathar GK, Shelton WA, Xu Y. Trends in the Catalytic Activity of Transition Metals for the Oxygen Reduction Reaction by Lithium. The Journal of Physical Chemistry Letters. 3: 891-5. PMID 26286416 DOI: 10.1021/Jz300142Y  0.674
2012 Calaza FC, Xu Y, Mullins DR, Overbury S{H. Oxygen Vacancy-Assisted Coupling and Enolization of Acetaldehyde on CeO2(111) Journal of the American Chemical Society. 134: 18034-18045. PMID 23020248 DOI: 10.1021/Ja3074243  0.367
2012 Yu J, Woo J, Borisevich A, Xu Y, Guliants VV. A combined HAADF STEM and density functional theory study of tantalum and niobium locations in the Mo-V-Te-Ta(Nb)-O M1 phases Catalysis Communications. 29: 68-72. DOI: 10.1016/J.Catcom.2012.09.020  0.323
2012 Xu Y. Decomposition of Furan on Pd(111) Topics in Catalysis. 55: 290-299. DOI: 10.1007/S11244-012-9797-Z  0.316
2011 Xu Y, Jr WAS. Oxygen Reduction by Lithium on Model Carbon and Oxidized Carbon Structures Journal of the Electrochemical Society. 158. DOI: 10.1149/1.3625620  0.318
2011 Xu L, Xu Y. Effect of Pd surface structure on the activation of methyl acetate Catalysis Today. 165: 96-105. DOI: 10.1016/J.Cattod.2010.12.021  0.328
2011 Muthukumar K, Yu J, Xu Y, Guliants VV. Propane ammoxidation over the Mo-V-Te-Nb-O M1 phase: Reactivity of surface cations in hydrogen abstraction steps Topics in Catalysis. 54: 605-613. DOI: 10.1007/S11244-011-9682-1  0.37
2010 Xu Y, Shelton WA. O2 reduction by lithium on Au(111) and Pt(111). The Journal of Chemical Physics. 133: 024703. PMID 20632766 DOI: 10.1063/1.3447381  0.657
2010 Govindasamy A, Muthukumar K, Yu J, Xu Y, Guliants VV. Adsorption of propane, isopropyl, and hydrogen on cluster models of the M1 phase of Mo-V-Te-Nb-O mixed metal oxide catalyst Journal of Physical Chemistry C. 114: 4544-4549. DOI: 10.1021/Jp910382X  0.405
2010 Ford DC, Nilekar AU, Xu Y, Mavrikakis M. Partial and complete reduction of O2 by hydrogen on transition metal surfaces Surface Science. 604: 1565-1575. DOI: 10.1016/J.Susc.2010.05.026  0.775
2010 Xu L, Xu Y. Activation of methyl acetate on Pd(111) Surface Science. 604: 887-892. DOI: 10.1016/J.Susc.2010.02.015  0.323
2010 Olcay H, Xu L, Xu Y, Huber GW. Aqueous-phase hydrogenation of acetic acid over transition metal catalysts Chemcatchem. 2: 1420-1424. DOI: 10.1002/Cctc.201000134  0.313
2009 Gordon WO, Xu Y, Mullins DR, Overbury SH. Temperature evolution of structure and bonding of formic acid and formate on fully oxidized and highly reduced CeO2(111). Physical Chemistry Chemical Physics : Pccp. 11: 11171-83. PMID 20024386 DOI: 10.1039/B913310K  0.363
2008 Xu Y, Getman RB, Shelton WA, Schneider WF. A first-principles investigation of the effect of Pt cluster size on CO and NO oxidation intermediates and energetics. Physical Chemistry Chemical Physics : Pccp. 10: 6009-18. PMID 18825289 DOI: 10.1039/B805179H  0.735
2008 Getman RB, Xu Y, Schneider WF. Thermodynamics of environment-dependent oxygen chemisorption on Pt(111) Journal of Physical Chemistry C. 112: 9559-9572. DOI: 10.1021/Jp800905A  0.437
2007 Xu Y, Marbach H, Imbihl R, Kevrekidis IG, Mavrikakis M. The effect of coadsorbed oxygen on the adsorption and diffusion of potassium on Rh(110): A first-principles study Journal of Physical Chemistry C. 111: 7446-7455. DOI: 10.1021/Jp070654V  0.528
2007 Nilekar AU, Xu Y, Zhang J, Vukmirovic MB, Sasaki K, Adzic RR, Mavrikakis M. Bimetallic and ternary alloys for improved oxygen reduction catalysis Topics in Catalysis. 46: 276-284. DOI: 10.1007/S11244-007-9001-Z  0.759
2006 Xu Y, Shelton WA, Schneider WF. Thermodynamic equilibrium compositions, structures, and reaction energies of Pt(x)O(y) (x = 1-3) clusters predicted from first principles. The Journal of Physical Chemistry. B. 110: 16591-9. PMID 16913794 DOI: 10.1021/Jp0614446  0.717
2006 Grabow L, Xu Y, Mavrikakis M. Lattice strain effects on CO oxidation on Pt(111). Physical Chemistry Chemical Physics : Pccp. 8: 3369-74. PMID 16855712 DOI: 10.1039/B606131A  0.673
2006 Xu Y, Shelton WA, Schneider WF. Effect of particle size on the oxidizability of platinum clusters. The Journal of Physical Chemistry. A. 110: 5839-46. PMID 16640379 DOI: 10.1021/Jp0547111  0.711
2005 Xu Y, Greeley J, Mavrikakis M. Effect of subsurface oxygen on the reactivity of the Ag(111) surface. Journal of the American Chemical Society. 127: 12823-7. PMID 16159275 DOI: 10.1021/Ja043727M  0.646
2005 Zhang J, Vukmirovic MB, Xu Y, Mavrikakis M, Adzic RR. Controlling the catalytic activity of platinum-monolayer electrocatalysts for oxygen reduction with different substrates. Angewandte Chemie (International Ed. in English). 44: 2132-5. PMID 15714453 DOI: 10.1002/Anie.200462335  0.512
2004 Xu Y, Ruban AV, Mavrikakis M. Adsorption and dissociation of O2 on Pt-Co and Pt-Fe alloys. Journal of the American Chemical Society. 126: 4717-25. PMID 15070391 DOI: 10.1021/Ja031701+  0.563
2004 Lopez N, Janssens TVW, Clausen BS, Xu Y, Mavrikakis M, Bligaard T, Nørskov JK. On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation Journal of Catalysis. 223: 232-235. DOI: 10.1016/J.Jcat.2004.01.001  0.519
2003 Xu Y, Mavrikakis M. Adsorption and dissociation of O2 on gold surfaces: Effect of steps and strain Journal of Physical Chemistry B. 107: 9298-9307. DOI: 10.1021/Jp034380X  0.55
2003 Xu Y, Mavrikakis M. The adsorption and dissociation of O 2 molecular precursors on Cu: the effect of steps Surface Science. 538: 219-232. DOI: 10.1016/S0039-6028(03)00787-8  0.506
2002 Xu Y, Mavrikakis M. Adsorption and dissociation of O2 on Ir(111) The Journal of Chemical Physics. 116: 10846-10853. DOI: 10.1063/1.1479716  0.508
2002 Xu Y, Mavrikakis M. Erratum to: “Adsorption and dissociation of O2 on Cu(111): thermochemistry, reaction barrier and the effect of strain” [Surface Science 494 (2001) 131–144] Surface Science. 505: 369. DOI: 10.1016/S0039-6028(02)01295-5  0.505
2002 Nørskov J, Bligaard T, Logadottir A, Bahn S, Hansen L, Bollinger M, Bengaard H, Hammer B, Sljivancanin Z, Mavrikakis M, Xu Y, Dahl S, Jacobsen C. Universality in Heterogeneous Catalysis Journal of Catalysis. 209: 275-278. DOI: 10.1006/Jcat.2002.3615  0.516
2001 Xu Y, Mavrikakis M. Adsorption and dissociation of O2 on Cu(): thermochemistry, reaction barrier and the effect of strain Surface Science. 494: 131-144. DOI: 10.1016/S0039-6028(01)01464-9  0.538
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