DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Formation of two-dimensional CuSe on Cu(111) at very low selenium coverage

Abstract

Abstract Using scanning tunneling microscopy (STM), we observed that adsorption of Se on Cu(111) produced islands with a (√3×√3)R30° structure at Se coverages far below the structure's ideal coverage of 1/3 monolayer. On the basis of density functional theory (DFT), these islands cannot form due to attractive interactions between chemisorbed Se atoms. DFT showed that incorporating Cu atoms into the √3‐Se lattice stabilizes the structure, which provided a plausible explanation for the experimental observations. STM revealed three types of √3 textures. We assigned two of these as two‐dimensional layers of strained CuSe, analogous to dense planes of bulk klockmannite (CuSe). Klockmannite has a bulk lattice constant that is 11 % shorter than √3 times the surface lattice constant of Cu(111). This offers a rationale for the differences observed between these textures, for which strain limits the island size or distorts the √3 lattice. STM showed that existing step edges adsorb Se and facet toward ⟨1 1⟩, which is consistent with DFT.

Authors:
 [1];  [2];  [3];  [4];  [3];  [5]
  1. Iowa State Univ., Ames, IA (United States); Surface and Interface Science Lab. RIKEN, Saitama (Japan)
  2. Ames Lab., Ames, IA (United States)
  3. Surface and Interface Science Lab. RIKEN, Saitama (Japan)
  4. Surface and Interface Science Lab. RIKEN, Saitama (Japan); Univ. College London, London (United Kingdom)
  5. Ames Lab. and Iowa State Univ., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1278748
Alternate Identifier(s):
OSTI ID: 1400754
Report Number(s):
IS-J-8974
Journal ID: ISSN 1439-4235
Grant/Contract Number:  
CHE-1507223; AC02-07CH11358; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
ChemPhysChem
Additional Journal Information:
Journal Volume: 17; Journal Issue: 14; Journal ID: ISSN 1439-4235
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Walen, Holly, Liu, Da -Jiang, Oh, Junepyo, Yang, Hyun Jin, Kim, Yousoo, and Thiel, Patricia A. Formation of two-dimensional CuSe on Cu(111) at very low selenium coverage. United States: N. p., 2016. Web. doi:10.1002/cphc.201600207.
Walen, Holly, Liu, Da -Jiang, Oh, Junepyo, Yang, Hyun Jin, Kim, Yousoo, & Thiel, Patricia A. Formation of two-dimensional CuSe on Cu(111) at very low selenium coverage. United States. https://doi.org/10.1002/cphc.201600207
Walen, Holly, Liu, Da -Jiang, Oh, Junepyo, Yang, Hyun Jin, Kim, Yousoo, and Thiel, Patricia A. Mon . "Formation of two-dimensional CuSe on Cu(111) at very low selenium coverage". United States. https://doi.org/10.1002/cphc.201600207. https://www.osti.gov/servlets/purl/1278748.
@article{osti_1278748,
title = {Formation of two-dimensional CuSe on Cu(111) at very low selenium coverage},
author = {Walen, Holly and Liu, Da -Jiang and Oh, Junepyo and Yang, Hyun Jin and Kim, Yousoo and Thiel, Patricia A.},
abstractNote = {Abstract Using scanning tunneling microscopy (STM), we observed that adsorption of Se on Cu(111) produced islands with a (√3×√3)R30° structure at Se coverages far below the structure's ideal coverage of 1/3 monolayer. On the basis of density functional theory (DFT), these islands cannot form due to attractive interactions between chemisorbed Se atoms. DFT showed that incorporating Cu atoms into the √3‐Se lattice stabilizes the structure, which provided a plausible explanation for the experimental observations. STM revealed three types of √3 textures. We assigned two of these as two‐dimensional layers of strained CuSe, analogous to dense planes of bulk klockmannite (CuSe). Klockmannite has a bulk lattice constant that is 11 % shorter than √3 times the surface lattice constant of Cu(111). This offers a rationale for the differences observed between these textures, for which strain limits the island size or distorts the √3 lattice. STM showed that existing step edges adsorb Se and facet toward ⟨1 1⟩, which is consistent with DFT.},
doi = {10.1002/cphc.201600207},
journal = {ChemPhysChem},
number = 14,
volume = 17,
place = {United States},
year = {Mon May 09 00:00:00 EDT 2016},
month = {Mon May 09 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 9 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Nanostructured metal chalcogenides: synthesis, modification, and applications in energy conversion and storage devices
journal, January 2013

  • Gao, Min-Rui; Xu, Yun-Fei; Jiang, Jun
  • Chemical Society Reviews, Vol. 42, Issue 7
  • DOI: 10.1039/c2cs35310e

Lattice parameters, densities, expansion coefficients and perfection of structure of Cu and of Cu–In α phase
journal, November 1969


Reconstruction of steps on the Cu(111) surface induced by sulfur
journal, May 2015

  • Walen, Holly; Liu, Da-Jiang; Oh, Junepyo
  • The Journal of Chemical Physics, Vol. 142, Issue 19
  • DOI: 10.1063/1.4921258

Long-Range Periodicity of S/Au(111) Structures at Low and Intermediate Coverages
journal, December 2013

  • Abufager, P. N.; Zampieri, G.; Reuter, K.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 1
  • DOI: 10.1021/jp408340d

Theory and Application for the Scanning Tunneling Microscope
journal, June 1983


The structure of overlayers of Se on Cu(111) surfaces
journal, September 1988


Klockmannite, CuSe: structure, properties and phase stability from ab initio modeling
journal, May 2002


Atomic-Scale Structure of Single-Layer MoS 2 Nanoclusters
journal, January 2000


New world record efficiency for Cu(In,Ga)Se2 thin-film solar cells beyond 20%
journal, January 2011

  • Jackson, Philip; Hariskos, Dimitrios; Lotter, Erwin
  • Progress in Photovoltaics: Research and Applications, Vol. 19, Issue 7
  • DOI: 10.1002/pip.1078

Electronic properties of liquid Tl2Te, Tl2Se, Ag2Te, Cu2Te, and Cu2Se alloys
journal, October 2002

  • Sklyarchuk, V. M.; Plevachuk, Yu. O.
  • Semiconductors, Vol. 36, Issue 10
  • DOI: 10.1134/1.1513855

Cu 2 S 3 complex on Cu(111) as a candidate for mass transport enhancement
journal, January 2015


Measurement of the binding energy of kink-site atoms of metals and alloys
journal, May 1991


Observation of ordered structures for S/Cu(111) at low temperature and coverage
journal, October 1999


Theory of the scanning tunneling microscope
journal, January 1985


Chemical Vapor Deposition Growth of Crystalline Monolayer MoSe2
journal, April 2014

  • Wang, Xingli; Gong, Yongji; Shi, Gang
  • ACS Nano, Vol. 8, Issue 5, p. 5125-5131
  • DOI: 10.1021/nn501175k

Growth modes of overlayers of Se deposited on Cu(111) surfaces
journal, January 1991


Zur Thermodynamik von Selendampf
journal, September 1971


Polycrystalline thin‐film Cu 2− x Se/CdS solar cell
journal, June 1985

  • Chen, Wen S.; Stewart, J. M.; Mickelsen, R. A.
  • Applied Physics Letters, Vol. 46, Issue 11
  • DOI: 10.1063/1.95773

Low-temperature structure of S/Cu(111)
journal, September 2001


Kesterite Thin-Film Solar Cells: Advances in Materials Modelling of Cu2ZnSnS4
journal, March 2012

  • Walsh, Aron; Chen, Shiyou; Wei, Su-Huai
  • Advanced Energy Materials, Vol. 2, Issue 4
  • DOI: 10.1002/aenm.201100630

Electronic origin of high-temperature superconductivity in single-layer FeSe superconductor
journal, January 2012

  • Liu, Defa; Zhang, Wenhao; Mou, Daixiang
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1946

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
journal, April 2013

  • Chhowalla, Manish; Shin, Hyeon Suk; Eda, Goki
  • Nature Chemistry, Vol. 5, Issue 4, p. 263-275
  • DOI: 10.1038/nchem.1589

Morphology and atomic-scale structure of single-layer WS2 nanoclusters
journal, January 2013

  • Füchtbauer, Henrik G.; Tuxen, Anders K.; Moses, Poul G.
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 38
  • DOI: 10.1039/c3cp51758f

Identification of Active Edge Sites for Electrochemical H2 Evolution from MoS2 Nanocatalysts
journal, July 2007

  • Jaramillo, T. F.; Jorgensen, K. P.; Bonde, J.
  • Science, Vol. 317, Issue 5834, p. 100-102
  • DOI: 10.1126/science.1141483

Copper ion liquid-like thermoelectrics
journal, March 2012

  • Liu, Huili; Shi, Xun; Xu, Fangfang
  • Nature Materials, Vol. 11, Issue 5, p. 422-425
  • DOI: 10.1038/nmat3273

Large-Area Synthesis of Highly Crystalline WSe 2 Monolayers and Device Applications
journal, December 2013

  • Huang, Jing-Kai; Pu, Jiang; Hsu, Chang-Lung
  • ACS Nano, Vol. 8, Issue 1
  • DOI: 10.1021/nn405719x

Solid State Transition Metal Sulphides
book, January 1998


Size-dependent structure of MoS2 nanocrystals
journal, January 2007

  • Lauritsen, Jeppe V.; Kibsgaard, Jakob; Helveg, Stig
  • Nature Nanotechnology, Vol. 2, Issue 1
  • DOI: 10.1038/nnano.2006.171

WSXM : A software for scanning probe microscopy and a tool for nanotechnology
journal, January 2007

  • Horcas, I.; Fernández, R.; Gómez-Rodríguez, J. M.
  • Review of Scientific Instruments, Vol. 78, Issue 1
  • DOI: 10.1063/1.2432410

ÜBer die Bestimmung der BildungsaffinitÄT des Silbersulfids (‐Selenids‐Tellurids) Durch Elektrometrische Messungen an Festen Ketten
journal, July 1934

  • Reinhold, H.
  • Zeitschrift für Elektrochemie und angewandte physikalische Chemie, Vol. 40, Issue 7A
  • DOI: 10.1002/bbpc.193400023

Works referencing / citing this record:

Oxygen and sulfur adsorption on vicinal surfaces of copper and silver: Preferred adsorption sites
journal, March 2018

  • Liu, Da-Jiang; Thiel, Patricia A.
  • The Journal of Chemical Physics, Vol. 148, Issue 12
  • DOI: 10.1063/1.5021091

Identification of an AgS2 Complex on Ag(110)
journal, December 2019