Identification of an AgS2 Complex on Ag(110)
Abstract
Adsorbed sulfur has been investigated on the Ag(110) surface at two different coverages, 0.02 and 0.25 monolayers. At the lower coverage, only sulfur adatoms are present. At the higher coverage, there are additional bright features which we identify as linear, independent AgS2 complexes. Here, this identification is based upon density functional theory (DFT) and its comparison with experimental observations including bias dependence and separation between complexes. DFT also predicts the absence of AgS2 complexes at low coverage, and the development of AgS2 complexes around a coverage of 0.25 monolayers of sulfur, as is experimentally observed. To our knowledge, this is the first example of an isolated linear sulfur-metal-sulfur complex.
- Authors:
-
- Iowa State Univ., Ames, IA (United States)
- Ames Lab., Ames, IA (United States)
- RIKEN, Saitama (Japan)
- Ames Lab., and Iowa State Univ., Ames, IA (United States)
- Publication Date:
- Research Org.:
- Ames Laboratory (AMES), Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division
- OSTI Identifier:
- 1580854
- Report Number(s):
- IS-J-10123
Journal ID: ISSN 2045-2322
- Grant/Contract Number:
- AC02-07CH11358; CHE-1507223; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Spurgeon, Peter M., Liu, Da-Jiang, Oh, Junepyo, Kim, Yousoo, and Thiel, Patricia A. Identification of an AgS2 Complex on Ag(110). United States: N. p., 2019.
Web. doi:10.1038/s41598-019-56275-4.
Spurgeon, Peter M., Liu, Da-Jiang, Oh, Junepyo, Kim, Yousoo, & Thiel, Patricia A. Identification of an AgS2 Complex on Ag(110). United States. https://doi.org/10.1038/s41598-019-56275-4
Spurgeon, Peter M., Liu, Da-Jiang, Oh, Junepyo, Kim, Yousoo, and Thiel, Patricia A. Sun .
"Identification of an AgS2 Complex on Ag(110)". United States. https://doi.org/10.1038/s41598-019-56275-4. https://www.osti.gov/servlets/purl/1580854.
@article{osti_1580854,
title = {Identification of an AgS2 Complex on Ag(110)},
author = {Spurgeon, Peter M. and Liu, Da-Jiang and Oh, Junepyo and Kim, Yousoo and Thiel, Patricia A.},
abstractNote = {Adsorbed sulfur has been investigated on the Ag(110) surface at two different coverages, 0.02 and 0.25 monolayers. At the lower coverage, only sulfur adatoms are present. At the higher coverage, there are additional bright features which we identify as linear, independent AgS2 complexes. Here, this identification is based upon density functional theory (DFT) and its comparison with experimental observations including bias dependence and separation between complexes. DFT also predicts the absence of AgS2 complexes at low coverage, and the development of AgS2 complexes around a coverage of 0.25 monolayers of sulfur, as is experimentally observed. To our knowledge, this is the first example of an isolated linear sulfur-metal-sulfur complex.},
doi = {10.1038/s41598-019-56275-4},
journal = {Scientific Reports},
number = 1,
volume = 9,
place = {United States},
year = {Sun Dec 01 00:00:00 EST 2019},
month = {Sun Dec 01 00:00:00 EST 2019}
}
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Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Ethylene Epoxidation on Ag(100), Ag(110), and Ag(111): A Joint Ab Initio and Kinetic Monte Carlo Study and Comparison with Experiments
journal, December 2018
- Huš, Matej; Hellman, Anders
- ACS Catalysis, Vol. 9, Issue 2
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Self-organization of S adatoms on Au(111): √3R30° rows at low coverage
journal, July 2015
- Walen, Holly; Liu, Da-Jiang; Oh, Junepyo
- The Journal of Chemical Physics, Vol. 143, Issue 1
Deciphering complex features in STM images of O adatoms on Ag(110)
journal, July 2018
- Rawal, Takat B.; Smerieri, Marco; Pal, Jagriti
- Physical Review B, Vol. 98, Issue 3
Van der Waals density functionals applied to solids
journal, May 2011
- Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos
- Physical Review B, Vol. 83, Issue 19
Ethylene epoxidation over supported silver catalysts - influence of catalyst pretreatment on conversion and selectivity: Ethylene epoxidation over supported silver catalysts
journal, March 2018
- Aho, Atte; Eränen, Kari; Lemus-Yegres, Lived J.
- Journal of Chemical Technology & Biotechnology, Vol. 93, Issue 6
High temperature partial oxidation reactions over silver catalysts
journal, November 1999
- Nagy, Anton; Mestl, Gerhard
- Applied Catalysis A: General, Vol. 188, Issue 1-2
Direct dehydrogenation of methanol to formaldehyde over pre-treated polycrystalline silver catalyst
journal, January 2005
- Ren, Li-Ping; Dai, Wei-Lin; Yang, Xin-Li
- Catalysis Letters, Vol. 99, Issue 1-2
Tarnishing of silver in environments with sulphur contamination
journal, January 2007
- Jiang Yang, Chang; Hao Liang, Cheng; Liu, Xia
- Anti-Corrosion Methods and Materials, Vol. 54, Issue 1
Catalytic dehydrogenation of methanol to water-free formaldehyde
journal, February 1994
- Su, Shoujin; Zaza, Philippe; Renken, Albert
- Chemical Engineering & Technology, Vol. 17, Issue 1
Shape- and Size-Specific Chemistry of Ag Nanostructures in Catalytic Ethylene Epoxidation
journal, January 2010
- Christopher, Phillip; Linic, Suljo
- ChemCatChem, Vol. 2, Issue 1
Theory of the scanning tunneling microscope
journal, January 1985
- Tersoff, J.; Hamann, D. R.
- Physical Review B, Vol. 31, Issue 2
Tensor LEED analysis for the Rh(110)-(3 × 2)-S surface structure
journal, December 1995
- Wong, K. C.; Liu, W.; Mitchell, K. A. R.
- Surface Science, Vol. 344, Issue 3
Combined in situ XPS and PTRMS study of ethylene epoxidation over silver
journal, March 2006
- Bukhtiyarov, V.; Nizovskii, A.; Bluhm, H.
- Journal of Catalysis, Vol. 238, Issue 2
Atomic adsorbate identification with the STM: a theoretical approach
journal, March 1997
- Sautet, Philippe
- Surface Science, Vol. 374, Issue 1-3
Interaction of oxygen with silver at high temperature and atmospheric pressure: A spectroscopic and structural analysis of a strongly bound surface species
journal, July 1996
- Bao, X.; Muhler, M.; Schedel-Niedrig, Th.
- Physical Review B, Vol. 54, Issue 3
Tarnishing of Silver by Organic Sulfur Vapors: Rates and Film Characteristics
journal, January 1982
- Sinclair, J. D.
- Journal of The Electrochemical Society, Vol. 129, Issue 1
Sulfur Adsorption and Poisoning of Metallic Catalysts
journal, January 1980
- Oudar, J.
- Catalysis Reviews, Vol. 22, Issue 2
Supported Ag Nanoparticles and Clusters for CO Oxidation: Size Effects and Influence of the Silver–Oxygen Interactions
journal, April 2019
- Lamoth, Maximilian; Plodinec, Milivoj; Scharfenberg, Ludwig
- ACS Applied Nano Materials, Vol. 2, Issue 5
Study of Anti-Tarnishing Mechanism in Ag-In Binary System by Using Semi-Quantum-Mechanical Approach
journal, January 2017
- Huo, Yongjun; Wu, Jiaqi; Lee, Chin C.
- Journal of The Electrochemical Society, Vol. 164, Issue 7
Sulfur induced Cu4 tetramers on Cu(111)
journal, October 1997
- Foss, M.; Feidenhans'l, R.; Nielsen, M.
- Surface Science, Vol. 388, Issue 1-3
Complex reactions on a convertible catalyst surface: A study of the S-O-Cu system
journal, December 2018
- Dürrbeck, S.; Shi, X. -R.; Samadashvili, M.
- Surface Science, Vol. 678
Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation
journal, September 2017
- Walen, Holly; Liu, Da-Jiang; Oh, Junepyo
- The Journal of Physical Chemistry B, Vol. 122, Issue 2
Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects
journal, April 2010
- Lei, Y.; Mehmood, F.; Lee, S.
- Science, Vol. 328, Issue 5975, p. 224-228
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
journal, February 1997
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 78, Issue 7
Sulfur chemisorption on Ni(111): The clock structure of the (5√3×2)S phase
journal, September 1994
- Foss, M.; Feidenhans’l, R.; Nielsen, M.
- Physical Review B, Vol. 50, Issue 12
Industrial Production of Formaldehyde Using Polycrystalline Silver Catalyst
journal, August 2017
- Millar, Graeme J.; Collins, Mary
- Industrial & Engineering Chemistry Research, Vol. 56, Issue 33
Photoelectron diffraction and holography of clean and sulphur-covered Ni(110)
journal, April 1994
- Zharnikov, M.; Mehl, D.; Weinelt, M.
- Surface Science, Vol. 306, Issue 1-2
Adsorbate-enhanced transport of metals on metal surfaces: Oxygen and sulfur on coinage metals
journal, November 2010
- Thiel, Patricia A.; Shen, Mingmin; Liu, Da-Jiang
- Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 28, Issue 6
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
complex on Cu(111) as a candidate for mass transport enhancement
journal, January 2015
- Walen, Holly; Liu, Da-Jiang; Oh, Junepyo
- Physical Review B, Vol. 91, Issue 4
Formation of Two-Dimensional Copper Selenide on Cu(111) at Very Low Selenium Coverage
journal, May 2016
- Walen, Holly; Liu, Da-Jiang; Oh, Junepyo
- ChemPhysChem, Vol. 17, Issue 14
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
journal, March 1999
- Hammer, B.; Hansen, L. B.; Nørskov, J. K.
- Physical Review B, Vol. 59, Issue 11
Sulphur adsorption on Cu{110} : a SEXAFS study
journal, August 1991
- Atrei, A.; Johnson, A. L.; King, D. A.
- Surface Science, Vol. 254, Issue 1-3
Communication: Structure, formation, and equilibration of ensembles of Ag-S complexes on an Ag surface
journal, February 2013
- Russell, Selena M.; Kim, Yousoo; Liu, Da-Jiang
- The Journal of Chemical Physics, Vol. 138, Issue 7
Reversible Restructuring of Silver Particles during Ethylene Epoxidation
journal, October 2018
- van Hoof, Arno J. F.; Filot, Ivo A. W.; Friedrich, Heiner
- ACS Catalysis, Vol. 8, Issue 12
Surface science and the silver-catalyzed epoxidation of ethylene: an industrial perspective
journal, May 1998
- Serafin, J. G.; Liu, A. C.; Seyedmonir, S. R.
- Journal of Molecular Catalysis A: Chemical, Vol. 131, Issue 1-3
Evidence for the oxidation of CO by molecular oxygen adsorbed on Ag(110)
journal, August 1996
- Burghaus, U.; Conrad, H.
- Surface Science, Vol. 364, Issue 2
Destabilization of Ag nanoislands on Ag(100) by adsorbed sulfur
journal, October 2011
- Shen, Mingmin; Russell, Selena M.; Liu, Da-Jiang
- The Journal of Chemical Physics, Vol. 135, Issue 15
Long-Range Displacive Reconstruction of Au(110) Triggered by Low Coverage of Sulfur
journal, August 2015
- Walen, Holly; Liu, Da-Jiang; Oh, Junepyo
- The Journal of Physical Chemistry C, Vol. 119, Issue 36
Oxidation of Ethylene on Oxygen Reconstructed Silver Surfaces
journal, December 2016
- Jones, Travis E.; Wyrwich, Regina; Böcklein, Sebastian
- The Journal of Physical Chemistry C, Vol. 120, Issue 50
CO oxidation by the atomic oxygen on silver clusters: structurally dependent mechanisms generating free or chemically bonded CO 2
journal, January 2017
- Cao, Xizi; Chen, Mengyi; Ma, Jun
- Physical Chemistry Chemical Physics, Vol. 19, Issue 1
Shape- and Size-Specific Chemistry of Ag Nanostructures in Catalytic Ethylene Epoxidation
journal, January 2010
- Christopher, Phillip; Linic, Suljo
- ChemCatChem, Vol. 2, Issue 1
Catalytic dehydrogenation of methanol to water-free formaldehyde
journal, February 1994
- Su, Shoujin; Zaza, Philippe; Renken, Albert
- Chemical Engineering & Technology, Vol. 17, Issue 1
Formation of Two-Dimensional Copper Selenide on Cu(111) at Very Low Selenium Coverage
journal, May 2016
- Walen, Holly; Liu, Da-Jiang; Oh, Junepyo
- ChemPhysChem, Vol. 17, Issue 14
Ethylene epoxidation over supported silver catalysts - influence of catalyst pretreatment on conversion and selectivity: Ethylene epoxidation over supported silver catalysts
journal, March 2018
- Aho, Atte; Eränen, Kari; Lemus-Yegres, Lived J.
- Journal of Chemical Technology & Biotechnology, Vol. 93, Issue 6
Direct dehydrogenation of methanol to formaldehyde over pre-treated polycrystalline silver catalyst
journal, January 2005
- Ren, Li-Ping; Dai, Wei-Lin; Yang, Xin-Li
- Catalysis Letters, Vol. 99, Issue 1-2
Sulphur adsorption on Cu{110} : a SEXAFS study
journal, August 1991
- Atrei, A.; Johnson, A. L.; King, D. A.
- Surface Science, Vol. 254, Issue 1-3
Chemisorption of H, O, and S on Ni(110): general trends
journal, January 1992
- Besenbacher, F.; Stensgaard, I.; Ruan, L.
- Surface Science, Vol. 272, Issue 1-3
Photoelectron diffraction and holography of clean and sulphur-covered Ni(110)
journal, April 1994
- Zharnikov, M.; Mehl, D.; Weinelt, M.
- Surface Science, Vol. 306, Issue 1-2
Evidence for the oxidation of CO by molecular oxygen adsorbed on Ag(110)
journal, August 1996
- Burghaus, U.; Conrad, H.
- Surface Science, Vol. 364, Issue 2
Combined in situ XPS and PTRMS study of ethylene epoxidation over silver
journal, March 2006
- Bukhtiyarov, V.; Nizovskii, A.; Bluhm, H.
- Journal of Catalysis, Vol. 238, Issue 2
Complex reactions on a convertible catalyst surface: A study of the S-O-Cu system
journal, December 2018
- Dürrbeck, S.; Shi, X. -R.; Samadashvili, M.
- Surface Science, Vol. 678
Oxidation of CO by molecular oxygen on a Ag() surface studied by scanning tunneling microscopy
journal, July 2002
- Barth, J. V.; Zambelli, T.
- Surface Science, Vol. 513, Issue 2
CO oxidation by atomically adsorbed oxygen on Ag(110) in the temperature range 100–300 K
journal, January 1997
- Burghaus, U.; Conrad, H.
- Surface Science, Vol. 370, Issue 1
Formaldehyde synthesis from methanol over silver catalysts
journal, January 2003
- Qian, Min; Liauw, M. A.; Emig, G.
- Applied Catalysis A: General, Vol. 238, Issue 2
Industrial Production of Formaldehyde Using Polycrystalline Silver Catalyst
journal, August 2017
- Millar, Graeme J.; Collins, Mary
- Industrial & Engineering Chemistry Research, Vol. 56, Issue 33
Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation
journal, September 2017
- Walen, Holly; Liu, Da-Jiang; Oh, Junepyo
- The Journal of Physical Chemistry B, Vol. 122, Issue 2
Oxidation of Ethylene on Oxygen Reconstructed Silver Surfaces
journal, December 2016
- Jones, Travis E.; Wyrwich, Regina; Böcklein, Sebastian
- The Journal of Physical Chemistry C, Vol. 120, Issue 50
Reversible Restructuring of Silver Particles during Ethylene Epoxidation
journal, October 2018
- van Hoof, Arno J. F.; Filot, Ivo A. W.; Friedrich, Heiner
- ACS Catalysis, Vol. 8, Issue 12
Ethylene Epoxidation on Ag(100), Ag(110), and Ag(111): A Joint Ab Initio and Kinetic Monte Carlo Study and Comparison with Experiments
journal, December 2018
- Huš, Matej; Hellman, Anders
- ACS Catalysis, Vol. 9, Issue 2
Identification of Au–S complexes on Au(100)
journal, January 2016
- Walen, Holly; Liu, Da-Jiang; Oh, Junepyo
- Physical Chemistry Chemical Physics, Vol. 18, Issue 6
Characteristics of sulfur atoms adsorbed on Ag(100), Ag(110), and Ag(111) as probed with scanning tunneling microscopy: experiment and theory
journal, January 2019
- Spurgeon, Peter M.; Liu, Da-Jiang; Walen, Holly
- Physical Chemistry Chemical Physics, Vol. 21, Issue 20
Destabilization of Ag nanoislands on Ag(100) by adsorbed sulfur
journal, October 2011
- Shen, Mingmin; Russell, Selena M.; Liu, Da-Jiang
- The Journal of Chemical Physics, Vol. 135, Issue 15
Communication: Structure, formation, and equilibration of ensembles of Ag-S complexes on an Ag surface
journal, February 2013
- Russell, Selena M.; Kim, Yousoo; Liu, Da-Jiang
- The Journal of Chemical Physics, Vol. 138, Issue 7
Sulfur Adsorption and Poisoning of Metallic Catalysts
journal, January 1980
- Oudar, J.
- Catalysis Reviews, Vol. 22, Issue 2
Measurement of the binding energy of kink-site atoms of metals and alloys
journal, May 1991
- Liu, Jiang; Wu, Chun-wu; Tsong, Tien T.
- Physical Review B, Vol. 43, Issue 14
Theory and Application for the Scanning Tunneling Microscope
journal, June 1983
- Tersoff, J.; Hamann, D. R.
- Physical Review Letters, Vol. 50, Issue 25
Tarnishing of silver in environments with sulphur contamination
journal, January 2007
- Jiang Yang, Chang; Hao Liang, Cheng; Liu, Xia
- Anti-Corrosion Methods and Materials, Vol. 54, Issue 1
Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects
journal, April 2010
- Lei, Y.; Mehmood, F.; Lee, S.
- Science, Vol. 328, Issue 5975, p. 224-228
Tarnishing of Silver by Organic Sulfur Vapors: Rates and Film Characteristics
journal, January 1982
- Sinclair, J. D.
- Journal of The Electrochemical Society, Vol. 129, Issue 1
Supported Ag nanoparticles and clusters for CO oxidation: size effects and influence of the silver-oxygen interactions
text, January 2019
- Lamoth, Maximilian; Plodinec, Milivoj; Scharfenberg, Ludwig
- ACS Publications