Year |
Citation |
Score |
2020 |
Martin R, Kim M, Lee CJ, Mehar V, Albertin S, Hejral U, Merte LR, Lundgren E, Asthagiri A, Weaver JF. High Resolution X-ray Photoelectron Spectroscopy of an IrO(110) Film on Ir(100). The Journal of Physical Chemistry Letters. PMID 32787312 DOI: 10.1021/Acs.Jpclett.0C01805 |
0.395 |
|
2020 |
Martin R, Kim M, Lee CJ, Shariff MS, Feng F, Meyer RJ, Asthagiri A, Weaver JF. Molecular chemisorption of N on IrO(110). The Journal of Chemical Physics. 152: 074712. PMID 32087661 DOI: 10.1063/1.5142210 |
0.379 |
|
2020 |
Kim M, Franklin AD, Martin R, Bian Y, Weaver JF, Asthagiri A. Kinetics of low-temperature methane activation on IrO2(1 1 0): Role of local surface hydroxide species Journal of Catalysis. 383: 181-192. DOI: 10.1016/J.Jcat.2020.01.027 |
0.369 |
|
2019 |
Liu T, Luo W, Cole DR, Asthagiri A. Water adsorption on olivine(010) surfaces: Effect of alkali and transition metal cation doping. The Journal of Chemical Physics. 150: 044703. PMID 30709306 DOI: 10.1063/1.5058770 |
0.353 |
|
2019 |
Kim M, Franklin A, Martin R, Feng F, Li T, Liang Z, Asthagiri A, Weaver JF. Adsorption and Oxidation of CH4 on Oxygen-Rich IrO2(110) The Journal of Physical Chemistry C. 123: 27603-27614. DOI: 10.1021/Acs.Jpcc.9B08215 |
0.357 |
|
2019 |
Tjung SJ, Zhang Q, Repicky JJ, Yuk SF, Nie X, Santagata NM, Asthagiri A, Gupta JA. STM and DFT studies of CO2 adsorption on O-Cu(100) surface Surface Science. 679: 50-55. DOI: 10.1016/J.Susc.2018.08.013 |
0.415 |
|
2019 |
Zhang Q, Asthagiri A. Solvation effects on DFT predictions of ORR activity on metal surfaces Catalysis Today. 323: 35-43. DOI: 10.1016/J.Cattod.2018.07.036 |
0.438 |
|
2019 |
Fugate EA, Biswas S, Clement MC, Kim M, Kim D, Asthagiri A, Baker LR. The role of phase impurities and lattice defects on the electron dynamics and photochemistry of CuFeO2 solar photocathodes Nano Research. 12: 2390-2399. DOI: 10.1007/S12274-019-2493-6 |
0.34 |
|
2018 |
Martin R, Kim M, Franklin A, Bian Y, Asthagiri A, Weaver JF. Adsorption and oxidation of propane and cyclopropane on IrO(110). Physical Chemistry Chemical Physics : Pccp. PMID 30427331 DOI: 10.1039/C8Cp06125D |
0.358 |
|
2018 |
Bian Y, Kim M, Li T, Asthagiri A, Weaver JF. Facile Dehydrogenation of Ethane on the IrO2(110) Surface. Journal of the American Chemical Society. PMID 29376362 DOI: 10.1021/Jacs.7B13599 |
0.432 |
|
2018 |
Mehar V, Kim M, Shipilin M, Bossche MVd, Gustafson J, Merte LR, Hejral U, Gronbeck H, Lundgren E, Asthagiri A, Weaver JF. Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100) Acs Catalysis. 8: 8553-8567. DOI: 10.1021/Acscatal.8B02191 |
0.323 |
|
2018 |
Kim M, Pan L, Weaver JF, Asthagiri A. Initial Reduction of the PdO(101) Surface: Role of Oxygen Vacancy Formation Kinetics The Journal of Physical Chemistry C. 122: 26007-26017. DOI: 10.1021/Acs.Jpcc.8B08226 |
0.404 |
|
2018 |
Husek J, Cirri A, Biswas S, Asthagiri A, Baker LR. Hole Thermalization Dynamics Facilitate Ultrafast Spatial Charge Separation in CuFeO2 Solar Photocathodes Journal of Physical Chemistry C. 122: 11300-11304. DOI: 10.1021/Acs.Jpcc.8B02996 |
0.306 |
|
2018 |
Li T, Kim M, Liang Z, Asthagiri A, Weaver JF. Dissociative Chemisorption and Oxidation of H 2 on the Stoichiometric IrO 2 (110) Surface Topics in Catalysis. 61: 397-411. DOI: 10.1007/S11244-017-0877-Y |
0.358 |
|
2017 |
Liang Z, Li T, Kim M, Asthagiri A, Weaver JF. Low-temperature activation of methane on the IrO2(110) surface. Science (New York, N.Y.). 356: 299-303. PMID 28428421 DOI: 10.1126/Science.Aam9147 |
0.369 |
|
2017 |
Liang Z, Kim M, Li T, Rai R, Asthagiri AR, Weaver JF. Adsorption and Oxidation of Ethylene on the Stoichiometric and O-Rich RuO2(110) Surfaces Journal of Physical Chemistry C. 121: 20375-20386. DOI: 10.1021/Acs.Jpcc.7B06865 |
0.409 |
|
2017 |
Pan L, Weaver JF, Asthagiri A. First Principles Study of Molecular O2 Adsorption on the PdO(101) Surface Topics in Catalysis. 60: 401-412. DOI: 10.1007/S11244-016-0705-9 |
0.417 |
|
2016 |
Li T, Kim M, Rai R, Liang Z, Asthagiri A, Weaver JF. Adsorption of alkanes on stoichiometric and oxygen-rich RuO2(110). Physical Chemistry Chemical Physics : Pccp. PMID 27477390 DOI: 10.1039/C6Cp04195G |
0.394 |
|
2016 |
Akhade SA, Luo W, Nie X, Asthagiri A, Janik MJ. Theoretical insight on reactivity trends in CO2 electroreduction across transition metals Catalysis Science and Technology. 6: 1042-1053. DOI: 10.1039/C5Cy01339A |
0.385 |
|
2016 |
Luo W, Nie X, Janik MJ, Asthagiri A. Facet Dependence of CO2 Reduction Paths on Cu Electrodes Acs Catalysis. 6: 219-229. DOI: 10.1021/Acscatal.5B01967 |
0.35 |
|
2016 |
Zhang Q, Mamtani K, Jain D, Ozkan U, Asthagiri A. CO Poisoning Effects on FeNC and CNx ORR Catalysts: A Combined Experimental–Computational Study Journal of Physical Chemistry C. 120: 15173-15184. DOI: 10.1021/Acs.Jpcc.6B03933 |
0.371 |
|
2016 |
Li T, Rai R, Liang Z, Kim M, Asthagiri A, Weaver JF. Adsorption and Oxidation of n-Butane on the Stoichiometric RuO2(110) Surface The Journal of Physical Chemistry C. 120: 9863-9873. DOI: 10.1021/Acs.Jpcc.6B02316 |
0.426 |
|
2016 |
Choi J, Pan L, Mehar V, Zhang F, Asthagiri A, Weaver JF. Promotion of CO oxidation on PdO(101) by adsorbed H2O Surface Science. 650: 203-209. DOI: 10.1016/J.Susc.2015.08.043 |
0.42 |
|
2015 |
Huang Z, Luo W, Ma L, Yu M, Ren X, He M, Polen S, Click K, Garrett B, Lu J, Amine K, Hadad C, Chen W, Asthagiri A, Wu Y. Dimeric [Mo2 S12 ](2-) Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen-Evolution Electrocatalysis. Angewandte Chemie (International Ed. in English). PMID 26482571 DOI: 10.1002/Anie.201507529 |
0.337 |
|
2015 |
Zhang F, Pan L, Choi J, Mehar V, Diulus JT, Asthagiri A, Weaver JF. Propane σ-Complexes on PdO(101): Spectroscopic Evidence of the Selective Coordination and Activation of Primary CH Bonds. Angewandte Chemie (International Ed. in English). PMID 26420576 DOI: 10.1002/Anie.201505237 |
0.392 |
|
2015 |
Weaver JF, Zhang F, Pan L, Li T, Asthagiri A. Vacancy-Mediated Processes in the Oxidation of CO on PdO(101). Accounts of Chemical Research. 48: 1515-23. PMID 25933250 DOI: 10.1021/Acs.Accounts.5B00101 |
0.404 |
|
2015 |
Yuk SF, Asthagiri A. A first-principles study of Pt thin films on SrTiO3(100): Support effects on CO adsorption. The Journal of Chemical Physics. 142: 124704. PMID 25833600 DOI: 10.1063/1.4915521 |
0.438 |
|
2015 |
Rai R, Li T, Liang Z, Kim M, Asthagiri A, Weaver JF. Growth and termination of a rutile IrO2(100) layer on Ir(111) Surface Science. DOI: 10.1016/J.Susc.2016.01.018 |
0.396 |
|
2015 |
Choi J, Pan L, Zhang F, Diulus JT, Asthagiri A, Weaver JF. Molecular adsorption of NO on PdO(101) Surface Science. DOI: 10.1016/J.Susc.2015.01.010 |
0.364 |
|
2014 |
Akhade SA, Luo W, Nie X, Bernstein NJ, Asthagiri A, Janik MJ. Poisoning effect of adsorbed CO during CO2 electroreduction on late transition metals. Physical Chemistry Chemical Physics : Pccp. 16: 20429-35. PMID 25165989 DOI: 10.1039/C4Cp03340J |
0.414 |
|
2014 |
Weaver JF, Hakanoglu C, Antony A, Asthagiri A. Alkane activation on crystalline metal oxide surfaces. Chemical Society Reviews. 43: 7536-47. PMID 24480977 DOI: 10.1039/C3Cs60420A |
0.428 |
|
2014 |
Zhang F, Li T, Pan L, Asthagiri A, Weaver JF. CO oxidation on single and multilayer Pd oxides on Pd(111): Mechanistic insights from RAIRS Catalysis Science and Technology. 4: 3826-3834. DOI: 10.1039/C4Cy00938J |
0.35 |
|
2014 |
Luo W, Asthagiri A. An ab initio thermodynamics study of cobalt surface phases under ethanol steam reforming conditions Catalysis Science & Technology. 4: 3379-3389. DOI: 10.1039/C4Cy00582A |
0.395 |
|
2014 |
Zhang F, Pan L, Li T, Diulus JT, Asthagiri A, Weaver JF. CO Oxidation on PdO(101) during Temperature-Programmed Reaction Spectroscopy: Role of Oxygen Vacancies Journal of Physical Chemistry C. 118: 28647-28661. DOI: 10.1021/Jp509383V |
0.372 |
|
2014 |
Luo W, Asthagiri A. Density Functional Theory Study of Methanol Steam Reforming on Co(0001) and Co(111) Surfaces Journal of Physical Chemistry C. 118: 15274-15285. DOI: 10.1021/Jp503177H |
0.447 |
|
2014 |
Yuk SF, Asthagiri A. A first-principles study of methyl lactate adsorption on the chiral Cu (643) surface Surface Science. 629: 28-34. DOI: 10.1016/J.Susc.2014.03.007 |
0.364 |
|
2014 |
Cheng YT, Liang T, Nie X, Choudhary K, Phillpot SR, Asthagiri A, Sinnott SB. Cu cluster deposition on ZnO 10 1 ̄ 0: Morphology and growth mode predicted from molecular dynamics simulations Surface Science. 621: 109-116. DOI: 10.1016/J.Susc.2013.10.025 |
0.325 |
|
2014 |
Nie X, Luo W, Janik MJ, Asthagiri A. Reaction mechanisms of CO2 electrochemical reduction on Cu(1 1 1) determined with density functional theory Journal of Catalysis. 312: 108-122. DOI: 10.1016/J.Jcat.2014.01.013 |
0.406 |
|
2014 |
Nie X, Griffin GL, Janik MJ, Asthagiri A. Surface phases of Cu2O(111) under CO2 electrochemical reduction conditions Catalysis Communications. 52: 88-91. DOI: 10.1016/J.Catcom.2014.02.022 |
0.404 |
|
2014 |
Liang T, Cheng YT, Nie X, Luo W, Asthagiri A, Janik MJ, Andrews E, Flake J, Sinnott SB. Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(101̄0) using charge optimized many body potentials Catalysis Communications. 52: 84-87. DOI: 10.1016/J.Catcom.2013.11.033 |
0.332 |
|
2013 |
Antony A, Asthagiri A, Weaver JF. Pathways and kinetics of methane and ethane C-H bond cleavage on PdO(101). The Journal of Chemical Physics. 139: 104702. PMID 24050357 DOI: 10.1063/1.4819909 |
0.359 |
|
2013 |
Hakanoglu C, Zhang F, Antony A, Asthagiri A, Weaver JF. Selectivity in the initial C-H bond cleavage of n-butane on PdO(101). Physical Chemistry Chemical Physics : Pccp. 15: 12075-87. PMID 23595254 DOI: 10.1039/C3Cp50659B |
0.328 |
|
2013 |
Nie X, Esopi MR, Janik MJ, Asthagiri A. Selectivity of CO(2) reduction on copper electrodes: the role of the kinetics of elementary steps. Angewandte Chemie (International Ed. in English). 52: 2459-62. PMID 23345201 DOI: 10.1002/Anie.201208320 |
0.329 |
|
2013 |
Patterson MC, Nie X, Wang F, Kurtz RL, Sinnott SB, Asthagiri A, Sprunger PT. Growth and structure of Cu and Au on the nonpolar ZnO(101̄0) surface: STM, XPS, and DFT studies Journal of Physical Chemistry C. 117: 18386-18397. DOI: 10.1021/Jp4037809 |
0.333 |
|
2013 |
Martin NM, Van Den Bossche M, Grönbeck H, Hakanoglu C, Gustafson J, Blomberg S, Arman MA, Antony A, Rai R, Asthagiri A, Weaver JF, Lundgren E. Dissociative adsorption of hydrogen on PdO(101) studied by HRCLS and DFT Journal of Physical Chemistry C. 117: 13510-13519. DOI: 10.1021/Jp4036698 |
0.401 |
|
2013 |
Bao X, Nie X, Von Deak D, Biddinger EJ, Luo W, Asthagiri A, Ozkan US, Hadad CM. A first-principles study of the role of quaternary-N doping on the oxygen reduction reaction activity and selectivity of graphene edge sites Topics in Catalysis. 56: 1623-1633. DOI: 10.1007/S11244-013-0097-Z |
0.323 |
|
2012 |
Antony A, Asthagiri A, Weaver JF. Pathways for C-H bond cleavage of propane σ-complexes on PdO(101). Physical Chemistry Chemical Physics : Pccp. 14: 12202-12. PMID 22859257 DOI: 10.1039/C2Cp41900A |
0.383 |
|
2012 |
Antony A, Hakanoglu C, Asthagiri A, Weaver JF. Dispersion-corrected density functional theory calculations of the molecular binding of n-alkanes on Pd(111) and PdO(101). The Journal of Chemical Physics. 136: 054702. PMID 22320754 DOI: 10.1063/1.3679167 |
0.328 |
|
2012 |
Hinojosa JA, Antony A, Hakanoglu C, Asthagiri A, Weaver JF. Adsorption of CO2 on a PdO(101) Thin Film Journal of Physical Chemistry C. 116: 3007-3016. DOI: 10.1021/Jp2104243 |
0.373 |
|
2012 |
Cheng YT, Shan TR, Devine B, Lee D, Liang T, Hinojosa BB, Phillpot SR, Asthagiri A, Sinnott SB. Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials Surface Science. 606: 1280-1288. DOI: 10.1016/J.Susc.2012.04.007 |
0.393 |
|
2011 |
Weaver JF, Hakanoglu C, Antony A, Asthagiri A. High selectivity for primary C-H bond cleavage of propane σ-complexes on the PdO(101) surface. Journal of the American Chemical Society. 133: 16196-200. PMID 21899358 DOI: 10.1021/Ja206599K |
0.322 |
|
2010 |
Weaver JF, Hakanoglu C, Hawkins JM, Asthagiri A. Molecular adsorption of small alkanes on a PdO(101) thin film: Evidence of sigma-complex formation. The Journal of Chemical Physics. 132: 024709. PMID 20095696 DOI: 10.1063/1.3277672 |
0.387 |
|
2010 |
Hinojosa BB, Cleve TV, Asthagiri A. A first-principles study of H2O adsorption and dissociation on the SrTiO3(100) surface Molecular Simulation. 36: 604-617. DOI: 10.1080/08927021003762746 |
0.419 |
|
2010 |
Hakanoglu C, Hawkins JM, Asthagiri A, Weaver JF. Strong kinetic isotope effect in the dissociative chemisorption of H 2 on a PdO(101) thin film Journal of Physical Chemistry C. 114: 11485-11497. DOI: 10.1021/Jp101715J |
0.369 |
|
2010 |
Hinojosa JA, Weaver JF, Hakanoglu C, Antony A, Hawkins JM, Asthagiri AR. Precursor-mediated dissociation of n-butane on a Pdo (101) thin film 10aiche - 2010 Aiche Annual Meeting, Conference Proceedings. DOI: 10.1016/J.Cattod.2010.06.012 |
0.399 |
|
2009 |
Hawkins JM, Weaver JF, Asthagiri AR. Density functional theory study of the initial oxidation of the Pt(111) surface Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche. DOI: 10.1103/Physrevb.79.125434 |
0.396 |
|
2008 |
Hinojosa BB, Nino JC, Asthagiri A. First-principles study of cubic Bi pyrochlores Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.104123 |
0.315 |
|
2008 |
Behera RK, Hinojosa BB, Sinnott SB, Asthagiri A, Phillpot SR. Coupling of surface relaxation and polarization in PbTiO3 from atomistic simulation Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/39/395004 |
0.411 |
|
2008 |
Kan HH, Colmyer RJ, Asthagiri AR, Weaver JF. Adsorption of water on a Pdo(101) thin film: Evidence of an adsorbed HO-H2O complex Aiche Annual Meeting, Conference Proceedings. DOI: 10.1021/Jp808008K |
0.344 |
|
2007 |
Asthagiri A, Hazen RM. An ab initio study of adsorption of alanine on the chiral calcite surface Molecular Simulation. 33: 343-351. DOI: 10.1080/08927020601155485 |
0.413 |
|
2006 |
Asthagiri A, Sholl DS. Pt thin films on the polarLaAlO3(100)surface: A first-principles study Physical Review B. 73. DOI: 10.1103/Physrevb.73.125432 |
0.53 |
|
2006 |
Asthagiri A, Wu Z, Choudhury N, Cohen RE. Advances in First-Principles Studies of Transducer Materials Ferroelectrics. 333: 69-78. DOI: 10.1080/00150190600695750 |
0.324 |
|
2005 |
Asthagiri A, Sholl DS. DFT study of Pt adsorption on low index SrTiO3 surfaces: SrTiO3(100), SrTiO3(111) and SrTiO3(110) Surface Science. 581: 66-87. DOI: 10.1016/J.Susc.2005.02.033 |
0.589 |
|
2004 |
Asthagiri A, Sholl DS. Pt thin films on stepped SrTiO3 surfaces: SrTiO3(620) and SrTiO3(622) Journal of Molecular Catalysis a: Chemical. 216: 233-245. DOI: 10.1016/J.Molcata.2004.03.011 |
0.576 |
|
2003 |
Asthagiri A, Niederberger C, Francis AJ, Porter LM, Salvador PA, Sholl DS. Thin Pt films on the polar SrTiO3(1 1 1) surface: An experimental and theoretical study Surface Science. 537: 134-152. DOI: 10.1016/S0039-6028(03)00609-5 |
0.544 |
|
2002 |
Asthagiri A, Sholl DS. First principles study of Pt adhesion and growth on SrO- and TiO2-terminated SrTiO3(100) The Journal of Chemical Physics. 116: 9914-9925. DOI: 10.1063/1.1476322 |
0.545 |
|
2002 |
Asthagiri A, Feibelman PJ, Sholl DS. Topics in Catalysis. 18: 193-200. DOI: 10.1023/A:1013882404221 |
0.537 |
|
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