메뉴 건너뛰기




Volumn 28, Issue 21, 2012, Pages 8084-8099

Ab initio studies of the electronic structure of l-cysteine adsorbed on Ag(111)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO STUDY; ADSORBED SPECIES; BOND FORMATION; BRIDGE SITES; CARBOXYL GROUPS; CHARGE DENSITY DIFFERENCE; DENSITY OF STATE; L-CYSTEINE; UNIT CELLS;

EID: 84861618525     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la301107k     Document Type: Article
Times cited : (26)

References (37)
  • 1
    • 0028844639 scopus 로고
    • Ab Initio Studies of Amino Acid Conformations. 1. The Conformers of Alanine, Serine, and Cysteine
    • Gronert, S.; O'Hair, R. A. J. Ab Initio Studies of Amino Acid Conformations. 1. The Conformers of Alanine, Serine, and Cysteine J. Am. Chem. Soc. 1995, 117, 2071-2081
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 2071-2081
    • Gronert, S.1    O'Hair, R.A.J.2
  • 2
    • 34547298099 scopus 로고    scopus 로고
    • DFT studies using supercells and projector-augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine
    • Maul, R.; Ortmann, F.; Preuss, M.; Hannewald, K.; Bechstedt, F. DFT studies using supercells and projector-augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine J. Comput. Chem. 2007, 28, 1817-1833
    • (2007) J. Comput. Chem. , vol.28 , pp. 1817-1833
    • Maul, R.1    Ortmann, F.2    Preuss, M.3    Hannewald, K.4    Bechstedt, F.5
  • 3
    • 0343819953 scopus 로고    scopus 로고
    • Martínez-Núñez, E.; Peña-Gallego, A. DFT conformational study of cysteine in gas phase and aqueous solution
    • Fernández-Ramos, A.; Cabaleiro-Lago, E.; Hermida-Ramón, J. M. Martínez-Núñez, E.; Peña-Gallego, A. DFT conformational study of cysteine in gas phase and aqueous solution THEOCHEM 2000, 498, 191-200
    • (2000) THEOCHEM , vol.498 , pp. 191-200
    • Fernández-Ramos, A.1    Cabaleiro-Lago, E.2    Hermida-Ramón, J.M.3
  • 4
    • 0000683417 scopus 로고
    • Conformational effects on vibrational frequencies of cysteine and serine: An ab initio study
    • Tarakeshwar, P.; Manogaran, S. Conformational effects on vibrational frequencies of cysteine and serine: an ab initio study THEOCHEM 1994, 305, 205-224
    • (1994) THEOCHEM , vol.305 , pp. 205-224
    • Tarakeshwar, P.1    Manogaran, S.2
  • 5
    • 0010577920 scopus 로고
    • Vibrational frequencies of cysteine and serine zwitterions - An ab initio assignment
    • Tarakeshwar, P.; Manogaran, S. Vibrational frequencies of cysteine and serine zwitterions - an ab initio assignment Spectrochim. Acta, Part A 1995, 51, 925-928
    • (1995) Spectrochim. Acta, Part A , vol.51 , pp. 925-928
    • Tarakeshwar, P.1    Manogaran, S.2
  • 6
    • 67649268403 scopus 로고    scopus 로고
    • Vibrational spectra of cysteine zwitterion and mechanism of its formation: Bulk and specific solvent effects and geometry optimization in aqueous media
    • Tiwari, S.; Mishra, P. C. Vibrational spectra of cysteine zwitterion and mechanism of its formation: Bulk and specific solvent effects and geometry optimization in aqueous media Spectrochim. Acta, Part A 2009, 73, 719-729
    • (2009) Spectrochim. Acta, Part A , vol.73 , pp. 719-729
    • Tiwari, S.1    Mishra, P.C.2
  • 7
    • 0001209838 scopus 로고    scopus 로고
    • Scanning Tunneling Microscopy Study of L-Cysteine on Au(111)
    • Dakkouri, A. S.; Kolb, D. M.; Edelstein-Shima, R.; Mandler, D. Scanning Tunneling Microscopy Study of L-Cysteine on Au(111) Langmuir 1996, 12, 2849-2852
    • (1996) Langmuir , vol.12 , pp. 2849-2852
    • Dakkouri, A.S.1    Kolb, D.M.2    Edelstein-Shima, R.3    Mandler, D.4
  • 8
    • 0034275644 scopus 로고    scopus 로고
    • Two-Dimensional Cysteine and Cystine Cluster Networks on Au(111) Disclosed by Voltammetry and in Situ Scanning Tunneling Microscopy
    • Zhang, J.; Chi, Q.; Nielsen, J. U.; Friis, E. P.; Andersen, J. E. T.; Ulstrup, J. Two-Dimensional Cysteine and Cystine Cluster Networks on Au(111) Disclosed by Voltammetry and in Situ Scanning Tunneling Microscopy Langmuir 2000, 16, 7229-7237
    • (2000) Langmuir , vol.16 , pp. 7229-7237
    • Zhang, J.1    Chi, Q.2    Nielsen, J.U.3    Friis, E.P.4    Andersen, J.E.T.5    Ulstrup, J.6
  • 9
    • 0037071985 scopus 로고    scopus 로고
    • Investigation of the Adsorption of l -Cysteine on a Polycrystalline Silver Electrode by Surface-Enhanced Raman Scattering (SERS) and Surface-Enhanced Second Harmonic Generation (SESHG)
    • Brolo, A. G.; Germain, P.; Hager, G. Investigation of the Adsorption of l -Cysteine on a Polycrystalline Silver Electrode by Surface-Enhanced Raman Scattering (SERS) and Surface-Enhanced Second Harmonic Generation (SESHG) J. Phys. Chem. B 2002, 106, 5982-5987
    • (2002) J. Phys. Chem. B , vol.106 , pp. 5982-5987
    • Brolo, A.G.1    Germain, P.2    Hager, G.3
  • 10
    • 0041519289 scopus 로고    scopus 로고
    • Adsorption/desorption behaviour of cysteine and cystine in neutral and basic media: Electrochemical evidence for differing thiol and disulfide adsorption to a Au(111) single crystal electrode
    • Hager, G.; Brolo, A. G. Adsorption/desorption behaviour of cysteine and cystine in neutral and basic media: electrochemical evidence for differing thiol and disulfide adsorption to a Au(111) single crystal electrode J. Electroanal. Chem. 2003, 550-551, 291-301
    • (2003) J. Electroanal. Chem. , vol.550-551 , pp. 291-301
    • Hager, G.1    Brolo, A.G.2
  • 11
    • 57649235585 scopus 로고    scopus 로고
    • Protonation and deprotonation of cysteine monolayers probed by impedance spectroscopy
    • Hager, G.; Brolo, A. G. Protonation and deprotonation of cysteine monolayers probed by impedance spectroscopy J. Electroanal. Chem. 2009, 625, 109-116
    • (2009) J. Electroanal. Chem. , vol.625 , pp. 109-116
    • Hager, G.1    Brolo, A.G.2
  • 12
    • 0242657867 scopus 로고    scopus 로고
    • Self-Assembled Monolayer of l -Cysteine on Au(111): Hydrogen Exchange between Zwitterionic l -Cysteine and Physisorbed Water
    • Shin, T.; Kim, K.-N.; Lee, C.-W.; Shin, K. S.; Kang, H. Self-Assembled Monolayer of l -Cysteine on Au(111): Hydrogen Exchange between Zwitterionic l -Cysteine and Physisorbed Water J. Phys. Chem. B 2003, 107, 11674-11681
    • (2003) J. Phys. Chem. B , vol.107 , pp. 11674-11681
    • Shin, T.1    Kim, K.-N.2    Lee, C.-W.3    Shin, K.S.4    Kang, H.5
  • 13
    • 0037421829 scopus 로고    scopus 로고
    • DFT Study of Cysteine Adsorption on Au(111)
    • Di Felice, R.; Selloni, A.; Molinari, E. DFT Study of Cysteine Adsorption on Au(111) J. Phys. Chem. B 2003, 107, 1151-1156
    • (2003) J. Phys. Chem. B , vol.107 , pp. 1151-1156
    • Di Felice, R.1    Selloni, A.2    Molinari, E.3
  • 14
    • 1842583284 scopus 로고    scopus 로고
    • Adsorption modes of cysteine on Au(111): Thiolate, amino-thiolate, disulfide
    • Di Felice, R.; Selloni, A. Adsorption modes of cysteine on Au(111): Thiolate, amino-thiolate, disulfide J. Chem. Phys. 2003, 120, 4906-4914
    • (2003) J. Chem. Phys. , vol.120 , pp. 4906-4914
    • Di Felice, R.1    Selloni, A.2
  • 15
    • 0037148862 scopus 로고    scopus 로고
    • Chiral recognition in dimerization of adsorbed cysteine observed by scanning tunneling microscopy
    • Kühnle, A.; Linderoth, T. R.; Hammer, B.; Besenbacher, F. Chiral recognition in dimerization of adsorbed cysteine observed by scanning tunneling microscopy Nature 2002, 15, 891-893
    • (2002) Nature , vol.15 , pp. 891-893
    • Kühnle, A.1    Linderoth, T.R.2    Hammer, B.3    Besenbacher, F.4
  • 16
    • 0037065318 scopus 로고    scopus 로고
    • Density Functional Theory Study of Enantiospecific Adsorption at Chiral Surfaces
    • Šljivančanin, Ž.; Gothelf, K. V.; Hammer, B. Density Functional Theory Study of Enantiospecific Adsorption at Chiral Surfaces J. Am. Chem. Soc. 2002, 124, 14789-4794.
    • (2002) J. Am. Chem. Soc. , vol.124 , pp. 14789-4794
    • Šljivančanin, Ž.1    Gothelf, K.V.2    Hammer, B.3
  • 17
    • 33748556866 scopus 로고    scopus 로고
    • Adsoption and in Situ Scanning Tunneling Microscopy of Cysteine on Au(111): Structure, Energy, and tunneling Contrasts
    • Nazmutdinov, R. R.; Zhang, J.; Zinkicheva, T. T.; Manyurov, I. R.; Ulstrup, J. Adsoption and In Situ Scanning Tunneling Microscopy of Cysteine on Au(111): Structure, Energy, and tunneling Contrasts Langmuir 2006, 22, 7556-7567
    • (2006) Langmuir , vol.22 , pp. 7556-7567
    • Nazmutdinov, R.R.1    Zhang, J.2    Zinkicheva, T.T.3    Manyurov, I.R.4    Ulstrup, J.5
  • 18
    • 34147130665 scopus 로고    scopus 로고
    • Cysteine adsorption on the Au(111) surface and the electron transfer in configuration of a scanning tunneling microscope: A quantum-chemical approach
    • Nazmutdinov, R. R.; Manyurov, I. R.; Zinkicheva, T. T.; Jang, J.; Ulstrup, J. Cysteine adsorption on the Au(111) surface and the electron transfer in configuration of a scanning tunneling microscope: A quantum-chemical approach Russ. J. Electrochem. 2007, 43, 328-341
    • (2007) Russ. J. Electrochem. , vol.43 , pp. 328-341
    • Nazmutdinov, R.R.1    Manyurov, I.R.2    Zinkicheva, T.T.3    Jang, J.4    Ulstrup, J.5
  • 19
    • 77954823656 scopus 로고    scopus 로고
    • Single cysteine adsorption on Au(110): A first-principles study
    • Höffling, B.; Ortmann, F.; Hannewald, K.; Bechstedt, F. Single cysteine adsorption on Au(110): A first-principles study Phys. Rev. B 2010, 81, 0454071-04540712
    • (2010) Phys. Rev. B , vol.81 , pp. 0454071-04540712
    • Höffling, B.1    Ortmann, F.2    Hannewald, K.3    Bechstedt, F.4
  • 20
    • 77952690243 scopus 로고    scopus 로고
    • AuS and SH Bond Formation/Breaking during the Formation of Alkanethiol SAMs on Au(111): A Theoretical Study
    • Tielens, F.; Santos, E. AuS and SH Bond Formation/Breaking during the Formation of Alkanethiol SAMs on Au(111): A Theoretical Study J. Phys. Chem. C 2010, 114, 9444-9452
    • (2010) J. Phys. Chem. C , vol.114 , pp. 9444-9452
    • Tielens, F.1    Santos, E.2
  • 22
    • 33846221530 scopus 로고    scopus 로고
    • Experimental (SERS) and theoretical (DFT) studies on the adsorption behaviors of L-cysteine on gold/silver nanoparticles
    • Jing, C.; Fang, Y. Experimental (SERS) and theoretical (DFT) studies on the adsorption behaviors of L-cysteine on gold/silver nanoparticles Chem. Phys. 2007, 332, 27-32
    • (2007) Chem. Phys. , vol.332 , pp. 27-32
    • Jing, C.1    Fang, Y.2
  • 24
    • 36349017671 scopus 로고    scopus 로고
    • L-Cysteine films on Ag(111) investigated by electrochemical and nonlinear optical methods
    • Santos, E.; Avalle, L. B.; Scurtu, R.; Jones, H. L-Cysteine films on Ag(111) investigated by electrochemical and nonlinear optical methods Chem. Phys. 2007, 342, 236-244
    • (2007) Chem. Phys. , vol.342 , pp. 236-244
    • Santos, E.1    Avalle, L.B.2    Scurtu, R.3    Jones, H.4
  • 25
    • 47249152833 scopus 로고    scopus 로고
    • Experimental and theoretical studies of l-cysteine adsorbed at Ag(111) electrodes
    • Santos, E.; Avalle, L.; Pötting, K.; Vélez, P.; Jones, H. Experimental and theoretical studies of l-cysteine adsorbed at Ag(111) electrodes Electrochim. Acta 2008, 53, 6807-6817
    • (2008) Electrochim. Acta , vol.53 , pp. 6807-6817
    • Santos, E.1    Avalle, L.2    Pötting, K.3    Vélez, P.4    Jones, H.5
  • 26
    • 23244460838 scopus 로고
    • Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
    • Perdew, J. P.; Chevary, J. A.; Vosko, S. H; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Phys. Rev. B 1992, 46, 6671-6687
    • (1992) Phys. Rev. B , vol.46 , pp. 6671-6687
    • Perdew, J.P.1    Chevary, J.A.2    Vosko, S.H.3    Jackson, K.A.4    Pederson, M.R.5    Singh, D.J.6    Fiolhais, C.7
  • 29
    • 33645426115 scopus 로고
    • Efficient pseudopotentials for plane-wave calculations
    • Troullier, N.; Martins, J. L. Efficient pseudopotentials for plane-wave calculations Phys. Rev. B 1991, 43, 1993-2006
    • (1991) Phys. Rev. B , vol.43 , pp. 1993-2006
    • Troullier, N.1    Martins, J.L.2
  • 30
    • 0037179801 scopus 로고    scopus 로고
    • The Interaction of Ethylene with Perfect and Defective Ag(001) Surfaces
    • Kokalj, A.; Dal Corso, A.; de Gironcoli, S.; Baroni, S. The Interaction of Ethylene with Perfect and Defective Ag(001) Surfaces J. Phys. Chem. B 2002, 106, 9839-9846
    • (2002) J. Phys. Chem. B , vol.106 , pp. 9839-9846
    • Kokalj, A.1    Dal Corso, A.2    De Gironcoli, S.3    Baroni, S.4
  • 31
    • 0141991888 scopus 로고    scopus 로고
    • Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale
    • XCrySDen-a new program for displaying crystalline structures and electron densities. J. Mol. Graphics Modell. 1999, 17, 176-179. Code available from.
    • Kokalj, A. Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale. Comput. Mater. Sci. 2003, 28, 155-168; XCrySDen-a new program for displaying crystalline structures and electron densities. J. Mol. Graphics Modell. 1999, 17, 176-179. Code available from http://www.xcrysden.org/.
    • (2003) Comput. Mater. Sci. , vol.28 , pp. 155-168
    • Kokalj, A.1
  • 32
    • 34248150838 scopus 로고    scopus 로고
    • Toward Control of the Metal-Organic Interfacial Electronic Structure in Molecular Electronics: A First-Principles Study on Self Assembled Monolayers of π-Conjugated Molecules on Noble Metals
    • Heimel, G.; Romaner, L.; Zojer, E.; Brédas, J. L. Toward Control of the Metal-Organic Interfacial Electronic Structure in Molecular Electronics: A First-Principles Study on Self Assembled Monolayers of π-Conjugated Molecules on Noble Metals Nano Lett. 2007, 7, 932-940
    • (2007) Nano Lett. , vol.7 , pp. 932-940
    • Heimel, G.1    Romaner, L.2    Zojer, E.3    Brédas, J.L.4
  • 33
    • 42449146532 scopus 로고    scopus 로고
    • Understanding the properties of interfaces between organic self-assembledmonolayers and noble metals - A theoretical perspective
    • Rangger, G. M.; Romaner, L.; Heimel, G.; Zojer, E. Understanding the properties of interfaces between organic self-assembledmonolayers and noble metals - a theoretical perspective Surf. Interface Anal. 2008, 40, 371-378
    • (2008) Surf. Interface Anal. , vol.40 , pp. 371-378
    • Rangger, G.M.1    Romaner, L.2    Heimel, G.3    Zojer, E.4
  • 34
    • 84870531443 scopus 로고    scopus 로고
    • Electronic changes at the Pt(111) interface induced by the adsorption of OH species
    • In press.
    • Arce, M. D.; Quaino, P.; Santos, E. Electronic changes at the Pt(111) interface induced by the adsorption of OH species. Catal. Today. In press.
    • Catal. Today
    • Arce, M.D.1    Quaino, P.2    Santos, E.3
  • 37
    • 67650457696 scopus 로고    scopus 로고
    • Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd-Au Bimetal Surfaces in Aqueous Solution
    • Heinz, H.; Farmer, B. L.; Pandey, R. B.; Slocik, J. M.; Patnalk, S. S.; Pachter, R.; Naik, R. R. Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd-Au Bimetal Surfaces in Aqueous Solution J. Am. Chem. Soc. 2009, 131, 9704-9714
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 9704-9714
    • Heinz, H.1    Farmer, B.L.2    Pandey, R.B.3    Slocik, J.M.4    Patnalk, S.S.5    Pachter, R.6    Naik, R.R.7


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.