Characterization of growth and structure of TCNQ phases on Ag(111)

P. J. Blowey; A. Haags; L. A. Rochford; J. Felter; D. A. Warr; D. A. Duncan; T. L. Lee; G. Costantini; C. Kumpf; D. P. Woodruff

doi:10.1103/PhysRevMaterials.3.116001

Characterization of growth and structure of TCNQ phases on Ag(111)

P. J. Blowey, A. Haags, L. A. Rochford, J. Felter, D. A. Warr, D. A. Duncan, T. L. Lee, G. Costantini, C. Kumpf, D. P. Woodruff^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

A combination of scanning tunneling microscopy, low-energy electron diffraction,and low-energy electron microscopy (LEEM) has been used to identify the structural phases formed by 7,7,8,8-tetracyanoquinodimethane (TCNQ) on Ag(111). These comprise a two-dimensional gas phase, a low-density commensurate (LDC) phase, and a higher-density incommensurate (HDI) phase. LEEM also shows the presence of an additional "precursor-HDI" phase with a surface unit mesh area only ≈3% less than the HDI phase. Normal incidence X-ray standing-wave measurements of the HDI phase yield almost identical structural parameters to the LDC phase for which a full structure determination has been previously reported. The results show TCNQ does not adopt the inverted bowl distortion favored in earlier density functional theory calculations of TCNQ on coinage metal surfaces, but the N atoms are twisted out of the molecular plane, an effect found for the LDC phase to be due to incorporation of Ag adatoms. The possible role of Ag adatoms in the HDI phase, and in the transition from the precursor-HDI phase, is discussed.

Original language	English
Article number	116001
Journal	Physical Review Materials
Volume	3
Issue number	11
DOIs	https://doi.org/10.1103/PhysRevMaterials.3.116001
Publication status	Published - 5 Nov 2019

Bibliographical note

Funding Information:
The authors thank Diamond Light Source for access to beamline I09 (Proposal No. SI12975) that contributed to the results presented here. P.J.B. acknowledges financial support from Diamond Light Source and the Engineering and Physical Sciences Research Council. J.F. and C.K. acknowledge financial support by the Deutsche Forschungsgemeinschaft through Collaborative Research Centre Grant No. SFB 1083.

Funding Information:
The authors thank Diamond Light Source for access to beamline I09 (Proposal No. SI12975) that contributed to the results presented here. P.J.B. acknowledges financial support from Diamond Light Source and the Engineering and Physical Sciences Research Council. J.F. and C.K. acknowledge financial support by the Deutsche Forschungsgemeinschaft through Collaborative Research Centre Grant No. SFB 1083.

Publisher Copyright:
© 2019 American Physical Society.

ASJC Scopus subject areas

General Materials Science
Physics and Astronomy (miscellaneous)

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10.1103/PhysRevMaterials.3.116001

Cite this

@article{cd1dd01cf61c4f44a4455a303cce8836,

title = "Characterization of growth and structure of TCNQ phases on Ag(111)",

abstract = "A combination of scanning tunneling microscopy, low-energy electron diffraction,and low-energy electron microscopy (LEEM) has been used to identify the structural phases formed by 7,7,8,8-tetracyanoquinodimethane (TCNQ) on Ag(111). These comprise a two-dimensional gas phase, a low-density commensurate (LDC) phase, and a higher-density incommensurate (HDI) phase. LEEM also shows the presence of an additional {"}precursor-HDI{"} phase with a surface unit mesh area only ≈3% less than the HDI phase. Normal incidence X-ray standing-wave measurements of the HDI phase yield almost identical structural parameters to the LDC phase for which a full structure determination has been previously reported. The results show TCNQ does not adopt the inverted bowl distortion favored in earlier density functional theory calculations of TCNQ on coinage metal surfaces, but the N atoms are twisted out of the molecular plane, an effect found for the LDC phase to be due to incorporation of Ag adatoms. The possible role of Ag adatoms in the HDI phase, and in the transition from the precursor-HDI phase, is discussed.",

author = "Blowey, {P. J.} and A. Haags and Rochford, {L. A.} and J. Felter and Warr, {D. A.} and Duncan, {D. A.} and Lee, {T. L.} and G. Costantini and C. Kumpf and Woodruff, {D. P.}",

note = "Funding Information: The authors thank Diamond Light Source for access to beamline I09 (Proposal No. SI12975) that contributed to the results presented here. P.J.B. acknowledges financial support from Diamond Light Source and the Engineering and Physical Sciences Research Council. J.F. and C.K. acknowledge financial support by the Deutsche Forschungsgemeinschaft through Collaborative Research Centre Grant No. SFB 1083. Funding Information: The authors thank Diamond Light Source for access to beamline I09 (Proposal No. SI12975) that contributed to the results presented here. P.J.B. acknowledges financial support from Diamond Light Source and the Engineering and Physical Sciences Research Council. J.F. and C.K. acknowledge financial support by the Deutsche Forschungsgemeinschaft through Collaborative Research Centre Grant No. SFB 1083. Publisher Copyright: {\textcopyright} 2019 American Physical Society.",

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doi = "10.1103/PhysRevMaterials.3.116001",

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AU - Blowey, P. J.

AU - Haags, A.

AU - Rochford, L. A.

AU - Felter, J.

AU - Warr, D. A.

AU - Duncan, D. A.

AU - Lee, T. L.

AU - Costantini, G.

AU - Kumpf, C.

AU - Woodruff, D. P.

N1 - Funding Information: The authors thank Diamond Light Source for access to beamline I09 (Proposal No. SI12975) that contributed to the results presented here. P.J.B. acknowledges financial support from Diamond Light Source and the Engineering and Physical Sciences Research Council. J.F. and C.K. acknowledge financial support by the Deutsche Forschungsgemeinschaft through Collaborative Research Centre Grant No. SFB 1083. Funding Information: The authors thank Diamond Light Source for access to beamline I09 (Proposal No. SI12975) that contributed to the results presented here. P.J.B. acknowledges financial support from Diamond Light Source and the Engineering and Physical Sciences Research Council. J.F. and C.K. acknowledge financial support by the Deutsche Forschungsgemeinschaft through Collaborative Research Centre Grant No. SFB 1083. Publisher Copyright: © 2019 American Physical Society.

PY - 2019/11/5

Y1 - 2019/11/5

N2 - A combination of scanning tunneling microscopy, low-energy electron diffraction,and low-energy electron microscopy (LEEM) has been used to identify the structural phases formed by 7,7,8,8-tetracyanoquinodimethane (TCNQ) on Ag(111). These comprise a two-dimensional gas phase, a low-density commensurate (LDC) phase, and a higher-density incommensurate (HDI) phase. LEEM also shows the presence of an additional "precursor-HDI" phase with a surface unit mesh area only ≈3% less than the HDI phase. Normal incidence X-ray standing-wave measurements of the HDI phase yield almost identical structural parameters to the LDC phase for which a full structure determination has been previously reported. The results show TCNQ does not adopt the inverted bowl distortion favored in earlier density functional theory calculations of TCNQ on coinage metal surfaces, but the N atoms are twisted out of the molecular plane, an effect found for the LDC phase to be due to incorporation of Ag adatoms. The possible role of Ag adatoms in the HDI phase, and in the transition from the precursor-HDI phase, is discussed.

AB - A combination of scanning tunneling microscopy, low-energy electron diffraction,and low-energy electron microscopy (LEEM) has been used to identify the structural phases formed by 7,7,8,8-tetracyanoquinodimethane (TCNQ) on Ag(111). These comprise a two-dimensional gas phase, a low-density commensurate (LDC) phase, and a higher-density incommensurate (HDI) phase. LEEM also shows the presence of an additional "precursor-HDI" phase with a surface unit mesh area only ≈3% less than the HDI phase. Normal incidence X-ray standing-wave measurements of the HDI phase yield almost identical structural parameters to the LDC phase for which a full structure determination has been previously reported. The results show TCNQ does not adopt the inverted bowl distortion favored in earlier density functional theory calculations of TCNQ on coinage metal surfaces, but the N atoms are twisted out of the molecular plane, an effect found for the LDC phase to be due to incorporation of Ag adatoms. The possible role of Ag adatoms in the HDI phase, and in the transition from the precursor-HDI phase, is discussed.

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DO - 10.1103/PhysRevMaterials.3.116001

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ER -

Characterization of growth and structure of TCNQ phases on Ag(111)

Abstract

Bibliographical note

ASJC Scopus subject areas

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