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Short-range order in a metal - Organic network

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Short-range order in a metal - Organic network. / Breitruck, Achim; Hoster, Harry E.; Behm, R. Jürgen.
In: The Journal of Physical Chemistry C, Vol. 113, No. 51, 24.12.2009, p. 21265-21268.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Breitruck, A, Hoster, HE & Behm, RJ 2009, 'Short-range order in a metal - Organic network', The Journal of Physical Chemistry C, vol. 113, no. 51, pp. 21265-21268. https://doi.org/10.1021/jp908748w

APA

Breitruck, A., Hoster, H. E., & Behm, R. J. (2009). Short-range order in a metal - Organic network. The Journal of Physical Chemistry C, 113(51), 21265-21268. https://doi.org/10.1021/jp908748w

Vancouver

Breitruck A, Hoster HE, Behm RJ. Short-range order in a metal - Organic network. The Journal of Physical Chemistry C. 2009 Dec 24;113(51):21265-21268. Epub 2009 Nov 25. doi: 10.1021/jp908748w

Author

Breitruck, Achim ; Hoster, Harry E. ; Behm, R. Jürgen. / Short-range order in a metal - Organic network. In: The Journal of Physical Chemistry C. 2009 ; Vol. 113, No. 51. pp. 21265-21268.

Bibtex

@article{5af1fbd636874432a80004932d621bc7,
title = "Short-range order in a metal - Organic network",
abstract = "Supramolecular assemblies on surfaces usually possess a long-range order controlled by the shape of the building blocks and the interactions between them. In this paper, we demonstrate that such a building block concept is applicable also for short-range ordered systems when used in combination with Monte Carlo (MC) techniques. Specifically, we focus on a structure that consists of a mixture of metal-organic complexes and organic trimers distributed on a hexagonal lattice. This distribution obeys a short-range order (SRO) governed by hydrogen bonds between the different types of lattice occupants. We show that this SRO, which is directly observed by scanning tunneling microscopy, can be predicted with high accuracy by MC simulations using pairwise interaction energy parameters which were determined by ab initio calculations.",
author = "Achim Breitruck and Hoster, {Harry E.} and Behm, {R. J{\"u}rgen}",
year = "2009",
month = dec,
day = "24",
doi = "10.1021/jp908748w",
language = "English",
volume = "113",
pages = "21265--21268",
journal = "The Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "51",

}

RIS

TY - JOUR

T1 - Short-range order in a metal - Organic network

AU - Breitruck, Achim

AU - Hoster, Harry E.

AU - Behm, R. Jürgen

PY - 2009/12/24

Y1 - 2009/12/24

N2 - Supramolecular assemblies on surfaces usually possess a long-range order controlled by the shape of the building blocks and the interactions between them. In this paper, we demonstrate that such a building block concept is applicable also for short-range ordered systems when used in combination with Monte Carlo (MC) techniques. Specifically, we focus on a structure that consists of a mixture of metal-organic complexes and organic trimers distributed on a hexagonal lattice. This distribution obeys a short-range order (SRO) governed by hydrogen bonds between the different types of lattice occupants. We show that this SRO, which is directly observed by scanning tunneling microscopy, can be predicted with high accuracy by MC simulations using pairwise interaction energy parameters which were determined by ab initio calculations.

AB - Supramolecular assemblies on surfaces usually possess a long-range order controlled by the shape of the building blocks and the interactions between them. In this paper, we demonstrate that such a building block concept is applicable also for short-range ordered systems when used in combination with Monte Carlo (MC) techniques. Specifically, we focus on a structure that consists of a mixture of metal-organic complexes and organic trimers distributed on a hexagonal lattice. This distribution obeys a short-range order (SRO) governed by hydrogen bonds between the different types of lattice occupants. We show that this SRO, which is directly observed by scanning tunneling microscopy, can be predicted with high accuracy by MC simulations using pairwise interaction energy parameters which were determined by ab initio calculations.

U2 - 10.1021/jp908748w

DO - 10.1021/jp908748w

M3 - Journal article

AN - SCOPUS:73849091361

VL - 113

SP - 21265

EP - 21268

JO - The Journal of Physical Chemistry C

JF - The Journal of Physical Chemistry C

SN - 1932-7447

IS - 51

ER -