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Volumn 117, Issue 47, 2013, Pages 24920-24931

CO dissociation mechanism on cu-doped Fe(100) surfaces

Author keywords

[No Author keywords available]

Indexed keywords

BIMETALLIC CATALYSTS; CHEMISORPTION ENERGY; DISSOCIATION PATHWAYS; DUAL SITE MECHANISM; HIGHER ALCOHOL SYNTHESIS; LOWER ENERGY BARRIERS; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; THERMO DYNAMIC ANALYSIS;

EID: 84889580831     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp408932y     Document Type: Article
Times cited : (37)

References (77)
  • 1
    • 0030231594 scopus 로고    scopus 로고
    • Reactions of Synthesis Gas
    • Wender, I. Reactions of Synthesis Gas Fuel Process. Technol. 1996, 48, 189-297
    • (1996) Fuel Process. Technol. , vol.48 , pp. 189-297
    • Wender, I.1
  • 2
    • 42149172662 scopus 로고    scopus 로고
    • A Review of Recent Literature to Search for an Efficient Catalytic Process for the Conversion of Syngas to Ethanol
    • Subramani, V.; Gangwal, S. K. A Review of Recent Literature to Search for an Efficient Catalytic Process for the Conversion of Syngas to Ethanol Energy Fuels 2008, 22, 814-839
    • (2008) Energy Fuels , vol.22 , pp. 814-839
    • Subramani, V.1    Gangwal, S.K.2
  • 3
    • 77950139249 scopus 로고    scopus 로고
    • 2/CO Ratio of the Synthesis Gas in a Single Step by Catalytically Gasifying Coal in a Steam and Carbon Dioxide Mixed Environment at Low Temperatures
    • 2/CO Ratio of the Synthesis Gas in a Single Step by Catalytically Gasifying Coal in a Steam and Carbon Dioxide Mixed Environment at Low Temperatures Energy Fuels 2009, 24, 1745-1752
    • (2009) Energy Fuels , vol.24 , pp. 1745-1752
    • Sharma, A.1    Takanohashi, T.2
  • 4
    • 70349200677 scopus 로고    scopus 로고
    • Effect of Zn and Mn Promoters on Copper-Iron Based Catalysts for Higher Alcohol Synthesis
    • Lin, M. G.; Fang, K. G.; Li, D. B.; Sun, Y. H. Effect of Zn and Mn Promoters on Copper-Iron Based Catalysts for Higher Alcohol Synthesis Acta Phys.-Chim. Sin. 2008, 24, 833-838
    • (2008) Acta Phys.-Chim. Sin. , vol.24 , pp. 833-838
    • Lin, M.G.1    Fang, K.G.2    Li, D.B.3    Sun, Y.H.4
  • 5
    • 68549122901 scopus 로고    scopus 로고
    • A Short Review of Heterogeneous Catalytic Process for Mixed Alcohols Synthesis via Syngas
    • Fang, K. G.; Li, D. B.; Lin, M. G.; Xiang, M. L.; Wei, W.; Sun, Y. H. A Short Review of Heterogeneous Catalytic Process for Mixed Alcohols Synthesis via Syngas Catal. Today 2009, 147, 133-138
    • (2009) Catal. Today , vol.147 , pp. 133-138
    • Fang, K.G.1    Li, D.B.2    Lin, M.G.3    Xiang, M.L.4    Wei, W.5    Sun, Y.H.6
  • 7
    • 79958198054 scopus 로고    scopus 로고
    • Heterogeneous Catalytic Conversion of Dry Syngas to Ethanol and Higher Alcohols on Cu-Based Catalysts
    • Gupta, M.; Smith, M. L.; Spivey, J. J. Heterogeneous Catalytic Conversion of Dry Syngas to Ethanol and Higher Alcohols on Cu-Based Catalysts ACS Catal. 2011, 1, 641-656
    • (2011) ACS Catal. , vol.1 , pp. 641-656
    • Gupta, M.1    Smith, M.L.2    Spivey, J.J.3
  • 8
    • 84863398981 scopus 로고    scopus 로고
    • A Review of Molybdenum Catalysts for Synthesis Gas Conversion to Alcohols: Catalysts, Mechanisms and Kinetics
    • Zaman, S.; Smith, K. J. A Review of Molybdenum Catalysts for Synthesis Gas Conversion to Alcohols: Catalysts, Mechanisms and Kinetics Catal. Rev.: Sci. Eng. 2012, 54, 41-132
    • (2012) Catal. Rev.: Sci. Eng. , vol.54 , pp. 41-132
    • Zaman, S.1    Smith, K.J.2
  • 9
    • 34547468272 scopus 로고    scopus 로고
    • Heterogeneous Catalytic Synthesis of Ethanol from Biomass-Derived Syngas
    • Spivey, J. J.; Egbebi, A. Heterogeneous Catalytic Synthesis of Ethanol from Biomass-Derived Syngas Chem. Soc. Rev. 2007, 36, 1514-1528
    • (2007) Chem. Soc. Rev. , vol.36 , pp. 1514-1528
    • Spivey, J.J.1    Egbebi, A.2
  • 11
    • 84958363169 scopus 로고
    • Mechanistic Aspects of the Formation of Hydrocarbons and Alcohols from CO Hydrogenation
    • Hindermann, J. P.; Hutchings, G. J.; Kiennemann, A. Mechanistic Aspects of the Formation of Hydrocarbons and Alcohols from CO Hydrogenation Catal. Rev. Sci. Eng. 1993, 35, 1-127
    • (1993) Catal. Rev. Sci. Eng. , vol.35 , pp. 1-127
    • Hindermann, J.P.1    Hutchings, G.J.2    Kiennemann, A.3
  • 12
    • 0034688423 scopus 로고    scopus 로고
    • Advances in Catalytic Synthesis and Utilization of Higher Alcohols
    • Herman, R. G. Advances in Catalytic Synthesis and Utilization of Higher Alcohols Catal. Today 2000, 55, 233-245
    • (2000) Catal. Today , vol.55 , pp. 233-245
    • Herman, R.G.1
  • 13
    • 45949129367 scopus 로고
    • Synthesis of Higher Alcohols from Syngas - Recently Patented Catalysts and Tentative Ideas on the Mechanism
    • Xu, X. D.; Doesburg, E. B. M.; Scholten, J. J. F. Synthesis of Higher Alcohols from Syngas-Recently Patented Catalysts and Tentative Ideas on the Mechanism Catal. Today 1987, 2, 125-170
    • (1987) Catal. Today , vol.2 , pp. 125-170
    • Xu, X.D.1    Doesburg, E.B.M.2    Scholten, J.J.F.3
  • 14
    • 0025505060 scopus 로고
    • Properties of Silica-Supported CuCo Bimetallic Catalysts in the Synthesis of Higher Alcohols
    • Baker, J. E.; Burch, R.; Hibble, S. J.; Loader, P. K. Properties of Silica-Supported CuCo Bimetallic Catalysts in the Synthesis of Higher Alcohols Appl. Catal. 1990, 65, 281-292
    • (1990) Appl. Catal. , vol.65 , pp. 281-292
    • Baker, J.E.1    Burch, R.2    Hibble, S.J.3    Loader, P.K.4
  • 15
    • 84863868063 scopus 로고    scopus 로고
    • Structure and Performance of Cu-Fe Bimodal Support for Higher Alcohol Syntheses
    • Liu, J. G.; Ding, M. Y.; Wang, T. J.; Ma, L. L. Structure and Performance of Cu-Fe Bimodal Support for Higher Alcohol Syntheses Acta Phys.-Chim. Sin. 2012, 28, 1964-1970
    • (2012) Acta Phys.-Chim. Sin. , vol.28 , pp. 1964-1970
    • Liu, J.G.1    Ding, M.Y.2    Wang, T.J.3    Ma, L.L.4
  • 16
    • 0027610316 scopus 로고
    • Higher Alcohol Synthesis on Modified Iron Based Catalysts: Copper and Molybdenum Addition
    • Kiennemann, A.; Barama, A.; Boujana, S.; Bettahar, M. M. Higher Alcohol Synthesis on Modified Iron Based Catalysts: Copper and Molybdenum Addition Appl. Catal., A 1993, 99, 175-194
    • (1993) Appl. Catal., A , vol.99 , pp. 175-194
    • Kiennemann, A.1    Barama, A.2    Boujana, S.3    Bettahar, M.M.4
  • 19
    • 79954416173 scopus 로고    scopus 로고
    • 3-Supported Nano Co-Cu Catalysts for Higher Alcohol Synthesis from Syngas
    • 3-Supported Nano Co-Cu Catalysts for Higher Alcohol Synthesis from Syngas Appl. Catal., A 2011, 397, 183-191
    • (2011) Appl. Catal., A , vol.397 , pp. 183-191
    • Fang, Y.Z.1    Liu, Y.2    Zhang, L.H.3
  • 21
    • 68549125396 scopus 로고    scopus 로고
    • Development of Cobalt-Copper Nanoparticles as Catalysts for Higher Alcohol Synthesis from Syngas
    • Subramanian, N. D.; Balaji, G.; Kumar, C. S. S. R.; Spivey, J. J. Development of Cobalt-Copper Nanoparticles as Catalysts for Higher Alcohol Synthesis from Syngas Catal. Today 2009, 147, 100-106
    • (2009) Catal. Today , vol.147 , pp. 100-106
    • Subramanian, N.D.1    Balaji, G.2    Kumar, C.S.S.R.3    Spivey, J.J.4
  • 22
    • 79952837882 scopus 로고    scopus 로고
    • Production of Mixed Alcohols from Bio-Syngas over Mo-Based Catalyst
    • Qiu, S. B.; Huang, W. W.; Xu, Y.; Liu, L.; Li, Q. X. Production of Mixed Alcohols from Bio-Syngas over Mo-Based Catalyst Chin. J. Chem. Phys. 2011, 24, 77-84
    • (2011) Chin. J. Chem. Phys. , vol.24 , pp. 77-84
    • Qiu, S.B.1    Huang, W.W.2    Xu, Y.3    Liu, L.4    Li, Q.X.5
  • 23
    • 79961031580 scopus 로고    scopus 로고
    • 2C/MgO Catalysts for Higher Alcohol Synthesis
    • 2C/MgO Catalysts for Higher Alcohol Synthesis J. Catal. 2011, 282, 83-93
    • (2011) J. Catal. , vol.282 , pp. 83-93
    • Shou, H.1    Davis, R.J.2
  • 25
    • 84866509309 scopus 로고    scopus 로고
    • Preparation of Copper-Iron Bimodal Pore Catalyst and Its Performance for Higher Alcohols Synthesis
    • Ding, M. Y.; Liu, J. G.; Zhang, Q.; Tsubaki, N.; Wang, T. J.; Ma, L. L. Preparation of Copper-Iron Bimodal Pore Catalyst and Its Performance for Higher Alcohols Synthesis Catal. Commun. 2012, 28, 138-142
    • (2012) Catal. Commun. , vol.28 , pp. 138-142
    • Ding, M.Y.1    Liu, J.G.2    Zhang, Q.3    Tsubaki, N.4    Wang, T.J.5    Ma, L.L.6
  • 26
    • 84862306316 scopus 로고    scopus 로고
    • Effect of Iron Promoter on Structure and Performance of CuMnZnO Catalyst for Higher Alcohols Synthesis
    • Ding, M. Y.; Oiu, M. H.; Wang, T. J.; Ma, L. L.; Wu, C. Z.; Liu, J. G. Effect of Iron Promoter on Structure and Performance of CuMnZnO Catalyst for Higher Alcohols Synthesis Appl. Energy 2012, 97, 543-547
    • (2012) Appl. Energy , vol.97 , pp. 543-547
    • Ding, M.Y.1    Oiu, M.H.2    Wang, T.J.3    Ma, L.L.4    Wu, C.Z.5    Liu, J.G.6
  • 27
    • 84862621114 scopus 로고    scopus 로고
    • Effects of Li Promoter on the Performance of Co/AC Catalysts for CO Hydrogenation to Mixed Linear α-Alcohols
    • Pei, Y. P.; Ding, Y. J.; Zang, J.; Song, X. G.; Dong, W. D.; Zhu, H. J.; Wang, T.; Chen, W. M. Effects of Li Promoter on the Performance of Co/AC Catalysts for CO Hydrogenation to Mixed Linear α-Alcohols Chin. J. Catal. 2012, 33, 808-812
    • (2012) Chin. J. Catal. , vol.33 , pp. 808-812
    • Pei, Y.P.1    Ding, Y.J.2    Zang, J.3    Song, X.G.4    Dong, W.D.5    Zhu, H.J.6    Wang, T.7    Chen, W.M.8
  • 29
    • 77954212919 scopus 로고    scopus 로고
    • Synthesis of Ketones and Alcohols via Syngas on Fe-Cu Based Catalysts
    • Su, Y. L.; Liu, B.; Pei, S. P.; Wang, X. Y.; Liu, Z. M. Synthesis of Ketones and Alcohols via Syngas on Fe-Cu Based Catalysts Chin. J. Catal. 2004, 25, 683-684
    • (2004) Chin. J. Catal. , vol.25 , pp. 683-684
    • Su, Y.L.1    Liu, B.2    Pei, S.P.3    Wang, X.Y.4    Liu, Z.M.5
  • 30
    • 42749090793 scopus 로고    scopus 로고
    • CO Hydrogenation to Mixed Alcohols over Co-precipitated Cu-Fe Catalysts
    • Lin, M. G.; Fang, K. G.; Li, D. B.; Sun, Y. H. CO Hydrogenation to Mixed Alcohols over Co-precipitated Cu-Fe Catalysts Catal. Commun. 2008, 9, 1869-1873
    • (2008) Catal. Commun. , vol.9 , pp. 1869-1873
    • Lin, M.G.1    Fang, K.G.2    Li, D.B.3    Sun, Y.H.4
  • 32
    • 84861549609 scopus 로고    scopus 로고
    • Phase Transformation in Cu-Fe-Based Catalyst during CO Hydrogenation
    • Lin, M. G.; Fang, K. G.; Li, D. B.; Sun, Y. H. Phase Transformation in Cu-Fe-Based Catalyst During CO Hydrogenation Chin. J. Catal. 2008, 29, 559-565
    • (2008) Chin. J. Catal. , vol.29 , pp. 559-565
    • Lin, M.G.1    Fang, K.G.2    Li, D.B.3    Sun, Y.H.4
  • 33
    • 58149127219 scopus 로고    scopus 로고
    • Preparation and Characterization of Ultrafine Fe-Cu-Based Catalysts for CO Hydrogenation
    • Su, Y. L.; Wang, Y. L.; Liu, Z. M. Preparation and Characterization of Ultrafine Fe-Cu-Based Catalysts for CO Hydrogenation J. Nat. Gas Chem. 2008, 17, 327-331
    • (2008) J. Nat. Gas Chem. , vol.17 , pp. 327-331
    • Su, Y.L.1    Wang, Y.L.2    Liu, Z.M.3
  • 34
    • 68749098425 scopus 로고    scopus 로고
    • Preparation and Characterization of Carbon Nanotube-Promoted Co-Cu Catalyst for Higher Alcohol Synthesis from Syngas
    • Dong, X.; Liang, X. L.; Li, H. Y.; Lin, G. D.; Zhang, P.; Zhang, H. B. Preparation and Characterization of Carbon Nanotube-Promoted Co-Cu Catalyst for Higher Alcohol Synthesis from Syngas Catal. Today 2009, 147, 158-165
    • (2009) Catal. Today , vol.147 , pp. 158-165
    • Dong, X.1    Liang, X.L.2    Li, H.Y.3    Lin, G.D.4    Zhang, P.5    Zhang, H.B.6
  • 35
    • 77954773443 scopus 로고    scopus 로고
    • Plasma-Assisted Preparation of Fe-Cu Bimetal Catalyst for Higher Alcohols Synthesis from Carbon Monoxide Hydrogenation
    • Zhang, H.; Chu, W.; Xu, H. Y.; Zhou, J. Plasma-Assisted Preparation of Fe-Cu Bimetal Catalyst for Higher Alcohols Synthesis from Carbon Monoxide Hydrogenation Fuel 2010, 89, 3127-3131
    • (2010) Fuel , vol.89 , pp. 3127-3131
    • Zhang, H.1    Chu, W.2    Xu, H.Y.3    Zhou, J.4
  • 37
    • 84861537735 scopus 로고    scopus 로고
    • Catalytic Conversion of Syngas to Mixed Alcohols over Zn-Mn Promoted Cu-Fe Based Catalyst
    • Lu, Y. W.; Yu, F.; Hu, J.; Liu, J. Catalytic Conversion of Syngas to Mixed Alcohols over Zn-Mn Promoted Cu-Fe Based Catalyst Appl. Catal., A 2012, 429, 48-58
    • (2012) Appl. Catal., A , vol.429 , pp. 48-58
    • Lu, Y.W.1    Yu, F.2    Hu, J.3    Liu, J.4
  • 39
    • 84869876273 scopus 로고    scopus 로고
    • Investigation on the Formation of Cu-Fe Nano Crystalline Super-Saturated Solid Solution Developed by Mechanical Alloying
    • Mojtahedi, M.; Goodarzi, M.; Aboutalebi, M. R.; Ghaffari, M.; Soleimanian, V. Investigation on the Formation of Cu-Fe Nano Crystalline Super-Saturated Solid Solution Developed by Mechanical Alloying J. Alloys Compd. 2013, 550, 380-388
    • (2013) J. Alloys Compd. , vol.550 , pp. 380-388
    • Mojtahedi, M.1    Goodarzi, M.2    Aboutalebi, M.R.3    Ghaffari, M.4    Soleimanian, V.5
  • 40
    • 18144421175 scopus 로고    scopus 로고
    • 2 Catalysts for Higher Alcohols Synthesis from Syngas: Effect of Calcination Temperature
    • 2 Catalysts for Higher Alcohols Synthesis from Syngas: Effect of Calcination Temperature J. Mol. Catal. A: Chem. 2005, 234, 75-83
    • (2005) J. Mol. Catal. A: Chem. , vol.234 , pp. 75-83
    • Xu, R.1    Wei, W.2    Li, W.H.3    Hu, T.D.4    Sun, Y.H.5
  • 41
    • 70349091901 scopus 로고    scopus 로고
    • Mechanism of Ethanol Synthesis from Syngas on Rh(111)
    • Choi, Y.; Liu, P. Mechanism of Ethanol Synthesis from Syngas on Rh(111) J. Am. Chem. Soc. 2009, 131, 13054-13061
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 13054-13061
    • Choi, Y.1    Liu, P.2
  • 43
    • 78951487873 scopus 로고    scopus 로고
    • Carbon Monoxide Adsorption and Dissociation on Mn-Decorated Rh(111) and Rh(553) Durfaces: A First-Principles Study
    • Ma, X. F.; Su, H. Y.; Deng, H. Q.; Li, W. X. Carbon Monoxide Adsorption and Dissociation on Mn-Decorated Rh(111) and Rh(553) Durfaces: A First-Principles Study Catal. Today 2011, 160, 228-233
    • (2011) Catal. Today , vol.160 , pp. 228-233
    • Ma, X.F.1    Su, H.Y.2    Deng, H.Q.3    Li, W.X.4
  • 45
    • 70349125493 scopus 로고    scopus 로고
    • Direct versus Hydrogen-Assisted CO Dissociation
    • Shetty, S.; Jansen, A. P. J.; van Santen, R. A. Direct versus Hydrogen-Assisted CO Dissociation J. Am. Chem. Soc. 2009, 131, 12874-12875
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 12874-12875
    • Shetty, S.1    Jansen, A.P.J.2    Van Santen, R.A.3
  • 46
    • 34347323952 scopus 로고    scopus 로고
    • CO Dissociation on Clean and Hydrogen Precovered Fe(111) Surfaces
    • Huo, C. F.; Ren, J.; Li, Y. W.; Wang, J. G.; Jiao, H. J. CO Dissociation on Clean and Hydrogen Precovered Fe(111) Surfaces J. Catal. 2007, 249, 174-184
    • (2007) J. Catal. , vol.249 , pp. 174-184
    • Huo, C.F.1    Ren, J.2    Li, Y.W.3    Wang, J.G.4    Jiao, H.J.5
  • 48
    • 39649123516 scopus 로고    scopus 로고
    • Fischer-Tropsch Mechanism Revisited: Alternative Pathways for the Production of Higher Hydrocarbons from Synthesis Gas
    • Inderwildi, O. R.; Jenkins, S. J.; King, D. A. Fischer-Tropsch Mechanism Revisited: Alternative Pathways for the Production of Higher Hydrocarbons from Synthesis Gas J. Phys. Chem. C 2008, 112, 1305-1307
    • (2008) J. Phys. Chem. C , vol.112 , pp. 1305-1307
    • Inderwildi, O.R.1    Jenkins, S.J.2    King, D.A.3
  • 50
    • 77953350058 scopus 로고    scopus 로고
    • Hydrogen Induced CO Activation on Open Ru and Co Surfaces
    • Shetty, S.; van Santen, R. A. Hydrogen Induced CO Activation on Open Ru and Co Surfaces Phys. Chem. Chem. Phys. 2010, 12, 6330-6332
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 6330-6332
    • Shetty, S.1    Van Santen, R.A.2
  • 51
    • 84859765602 scopus 로고    scopus 로고
    • Ab-Initio Calculations of the Direct and Hydrogen-Assisted Dissociation of CO on Fe(310)
    • Elahifard, M. R.; Jigato, M. P.; Niemantsverdriet, J. W. Ab-Initio Calculations of the Direct and Hydrogen-Assisted Dissociation of CO on Fe(310) Chem. Phys. Lett. 2012, 534, 54-57
    • (2012) Chem. Phys. Lett. , vol.534 , pp. 54-57
    • Elahifard, M.R.1    Jigato, M.P.2    Niemantsverdriet, J.W.3
  • 52
    • 84855691820 scopus 로고    scopus 로고
    • Direct versus Hydrogen-Assisted CO Dissociation on the Fe(100) Surface: A DFT Study
    • Elahifard, M. R.; Jigato, M. P.; Niemantsverdriet, J. W. Direct versus Hydrogen-Assisted CO Dissociation on the Fe(100) Surface: A DFT Study ChemPhysChem 2012, 13, 89-91
    • (2012) ChemPhysChem , vol.13 , pp. 89-91
    • Elahifard, M.R.1    Jigato, M.P.2    Niemantsverdriet, J.W.3
  • 53
    • 84858387038 scopus 로고    scopus 로고
    • Hydrogen-Assisted CO Dissociation on the Co(211) Stepped Surface
    • van Helden, P.; van den Berg, J. A.; Ciobica, I. M. Hydrogen-Assisted CO Dissociation on the Co(211) Stepped Surface Catal. Sci. Technol. 2012, 2, 491-494
    • (2012) Catal. Sci. Technol. , vol.2 , pp. 491-494
    • Van Helden, P.1    Van Den Berg, J.A.2    Ciobica, I.M.3
  • 54
    • 84871936232 scopus 로고    scopus 로고
    • x(x = 1-3) Formation from CO Hydrogenation on Cu(111) Surface
    • x(x = 1-3) Formation from CO Hydrogenation on Cu(111) Surface Appl. Surf. Sci. 2013, 265, 720-730
    • (2013) Appl. Surf. Sci. , vol.265 , pp. 720-730
    • Sun, X.C.1    Zhang, R.G.2    Wang, B.J.3
  • 55
    • 84879476880 scopus 로고    scopus 로고
    • Insights into the Mechanism of Ethanol Formation from Syngas on Cu and an Expanded Prediction of Improved Cu-Based Catalyst
    • Zhang, R.; Wang, G.; Wang, B. Insights into the Mechanism of Ethanol Formation from Syngas on Cu and an Expanded Prediction of Improved Cu-Based Catalyst J. Catal. 2013, 305, 238-255
    • (2013) J. Catal. , vol.305 , pp. 238-255
    • Zhang, R.1    Wang, G.2    Wang, B.3
  • 56
    • 84875828563 scopus 로고    scopus 로고
    • 2 Oxygenate Formation from Syngas on the Cu(110) Surface
    • 2 Oxygenate Formation from Syngas on the Cu(110) Surface J. Phys. Chem. C 2013, 117, 6594-6606
    • (2013) J. Phys. Chem. C , vol.117 , pp. 6594-6606
    • Zhang, R.1    Sun, X.2    Wang, B.3
  • 57
    • 52649089117 scopus 로고    scopus 로고
    • Mechanistic Studies of Hydrocarbon Combustion and Synthesis on Noble Metals
    • Inderwildi, O. R.; Jenkins, S. J.; King, D. A. Mechanistic Studies of Hydrocarbon Combustion and Synthesis on Noble Metals Angew. Chem., Int. Ed. 2008, 47, 5253-5255
    • (2008) Angew. Chem., Int. Ed. , vol.47 , pp. 5253-5255
    • Inderwildi, O.R.1    Jenkins, S.J.2    King, D.A.3
  • 58
    • 65649097363 scopus 로고    scopus 로고
    • Density Functional Theory Study of the CO Insertion Mechanism for Fischer-Tropsch Synthesis over Co Catalysts
    • Zhuo, M. K.; Tan, K. F.; Borgna, A.; Saeys, M. Density Functional Theory Study of the CO Insertion Mechanism for Fischer-Tropsch Synthesis over Co Catalysts J. Phys. Chem. C 2009, 113, 8357-8365
    • (2009) J. Phys. Chem. C , vol.113 , pp. 8357-8365
    • Zhuo, M.K.1    Tan, K.F.2    Borgna, A.3    Saeys, M.4
  • 60
    • 35949007146 scopus 로고
    • Ab Initio Molecular Dynamics for Open-Shell Transition Metals
    • Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Open-Shell Transition Metals Phys. Rev. B 1993, 48, 13115-13118
    • (1993) Phys. Rev. B , vol.48 , pp. 13115-13118
    • Kresse, G.1    Hafner, J.2
  • 61
    • 12844286241 scopus 로고
    • Ab Initio Molecular Dynamics for Liquid Metals
    • Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558-561
    • (1993) Phys. Rev. B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 62
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmuller, J. Efficiency of ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 63
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 64
    • 25744460922 scopus 로고
    • Projector Augmented-Wave Method
    • Blochl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blochl, P.E.1
  • 65
    • 0011236321 scopus 로고    scopus 로고
    • From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
    • Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 66
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 67
    • 84862827689 scopus 로고    scopus 로고
    • Energetics of Carbon Deposition on Fe(100) and Fe(110) Surfaces and Subsurfaces
    • Liu, X. W.; Huo, C. F.; Li, Y. W.; Wang, J. G.; Jiao, H. J. Energetics of Carbon Deposition on Fe(100) and Fe(110) Surfaces and Subsurfaces Surf. Sci. 2012, 606, 733-739
    • (2012) Surf. Sci. , vol.606 , pp. 733-739
    • Liu, X.W.1    Huo, C.F.2    Li, Y.W.3    Wang, J.G.4    Jiao, H.J.5
  • 69
    • 1842816907 scopus 로고
    • Special Points for Brillouin-Zone Integrations
    • Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 70
    • 84862821611 scopus 로고    scopus 로고
    • Force Reversed Method for Locating Transition States
    • Sun, K.; Zhao, Y.; Su, H. Y.; Li, W. X. Force Reversed Method for Locating Transition States Theor. Chem. Acc. 2012, 131, 1-10
    • (2012) Theor. Chem. Acc. , vol.131 , pp. 1-10
    • Sun, K.1    Zhao, Y.2    Su, H.Y.3    Li, W.X.4
  • 71
    • 0015670836 scopus 로고
    • An FIM-Atom Probe Study of the Precipitation of Copper from Iron - 1.4 at Pct Copper. Part II: Atom Probe Analyses
    • Goodman, S. R.; Brenner, S. S.; Low, J. R., Jr. An FIM-Atom Probe Study of the Precipitation of Copper from Iron-1.4 at Pct Copper. Part II: Atom Probe Analyses Metall. Trans. 1973, 4, 2371-2378
    • (1973) Metall. Trans. , vol.4 , pp. 2371-2378
    • Goodman, S.R.1    Brenner, S.S.2    Low Jr., J.R.3
  • 72
    • 0042879806 scopus 로고    scopus 로고
    • Thermodynamics of Alloys and Phase Equilibria in the Copper-Iron System
    • Turchanin, M. A.; Agraval, P. G.; Nikolaenko, I. V. Thermodynamics of Alloys and Phase Equilibria in the Copper-Iron System J. Phase Equilib. 2003, 24, 307-319
    • (2003) J. Phase Equilib. , vol.24 , pp. 307-319
    • Turchanin, M.A.1    Agraval, P.G.2    Nikolaenko, I.V.3
  • 73
    • 84875201884 scopus 로고    scopus 로고
    • Beneficial Effect of Cu on a Cu-Modified Au Catalytic Surface for CO Oxidation Reaction: A DFT Study
    • Hussain, A. Beneficial Effect of Cu on a Cu-Modified Au Catalytic Surface for CO Oxidation Reaction: A DFT Study J. Phys. Chem. C 2013, 117, 5084-5094
    • (2013) J. Phys. Chem. C , vol.117 , pp. 5084-5094
    • Hussain, A.1
  • 75
    • 0033523745 scopus 로고    scopus 로고
    • Short History and Present Trends of Fischer-Tropsch Synthesis
    • Schulz, H. Short History and Present Trends of Fischer-Tropsch Synthesis Appl. Catal., A 1999, 186, 3-12
    • (1999) Appl. Catal., A , vol.186 , pp. 3-12
    • Schulz, H.1
  • 76
    • 79957441868 scopus 로고    scopus 로고
    • Carbon Chain Growth by Formyl Insertion on Rhodium and Cobalt Catalysts in Syngas Conversion
    • Zhao, Y. H.; Sun, K. J.; Ma, X. F.; Liu, J. X.; Sun, D. P.; Su, H. Y.; Li, W. X. Carbon Chain Growth by Formyl Insertion on Rhodium and Cobalt Catalysts in Syngas Conversion Angew. Chem., Int. Ed. 2011, 50, 5335-5338
    • (2011) Angew. Chem., Int. Ed. , vol.50 , pp. 5335-5338
    • Zhao, Y.H.1    Sun, K.J.2    Ma, X.F.3    Liu, J.X.4    Sun, D.P.5    Su, H.Y.6    Li, W.X.7
  • 77
    • 1642319356 scopus 로고    scopus 로고
    • The Formation and Stability of Adsorbed Formyl as a Possible Intermediate in Fischer-Tropsch Chemistry on Ruthenium
    • Morgan, G. A.; Sorescu, D. C.; Zubkov, T.; Yates, J. T. The Formation and Stability of Adsorbed Formyl as a Possible Intermediate in Fischer-Tropsch Chemistry on Ruthenium J. Phys. Chem. B 2004, 108, 3614-3624
    • (2004) J. Phys. Chem. B , vol.108 , pp. 3614-3624
    • Morgan, G.A.1    Sorescu, D.C.2    Zubkov, T.3    Yates, J.T.4


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