Crystal engineering in two dimensions: a calculative investigation

C. J. Eckhardt; D. R. Swanson

doi:10.1016/0009-2614(92)86067-R

Crystal engineering in two dimensions: a calculative investigation

C. J. Eckhardt, D. R. Swanson

Computer Science and Engineering

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

13 Scopus citations

Abstract

Atom-atom potential calculations of planar lattices using a Buckingham potential for model alkane amphiphiles are reported. Of the seventeen planar space groups possible, it is shown that proper control of the amphiphiles' cross section, chirality and rigidity permits formation of centrosymmetric and/or non-centrosymmetric hexagonal, rectangular and oblique nets. The results suggest that all possible two-dimensional crystal nets may be formed thereby yielding new materials and model systems.

Original language	English (US)
Pages (from-to)	370-374
Number of pages	5
Journal	Chemical Physics Letters
Volume	194
Issue number	4-6
DOIs	https://doi.org/10.1016/0009-2614(92)86067-R
State	Published - Jul 3 1992

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(92)86067-R

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title = "Crystal engineering in two dimensions: a calculative investigation",

abstract = "Atom-atom potential calculations of planar lattices using a Buckingham potential for model alkane amphiphiles are reported. Of the seventeen planar space groups possible, it is shown that proper control of the amphiphiles' cross section, chirality and rigidity permits formation of centrosymmetric and/or non-centrosymmetric hexagonal, rectangular and oblique nets. The results suggest that all possible two-dimensional crystal nets may be formed thereby yielding new materials and model systems.",

author = "Eckhardt, {C. J.} and Swanson, {D. R.}",

note = "Funding Information: Major support of this research by ARO Grant No. DAAL03-89-G-0094 is gratefully acknowledged. This research was also conducted using the Cornell National Supercomputer Facility, a resource of the Center for Theory and Simulations in Science and Engineering (Cornell Theory Center), which receives major funding from the National Science Foundation and IBM Corporation, with additional support from New York State and members of the Corporate Research Institute.",

year = "1992",

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doi = "10.1016/0009-2614(92)86067-R",

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TY - JOUR

T1 - Crystal engineering in two dimensions

T2 - a calculative investigation

AU - Eckhardt, C. J.

AU - Swanson, D. R.

N1 - Funding Information: Major support of this research by ARO Grant No. DAAL03-89-G-0094 is gratefully acknowledged. This research was also conducted using the Cornell National Supercomputer Facility, a resource of the Center for Theory and Simulations in Science and Engineering (Cornell Theory Center), which receives major funding from the National Science Foundation and IBM Corporation, with additional support from New York State and members of the Corporate Research Institute.

PY - 1992/7/3

Y1 - 1992/7/3

N2 - Atom-atom potential calculations of planar lattices using a Buckingham potential for model alkane amphiphiles are reported. Of the seventeen planar space groups possible, it is shown that proper control of the amphiphiles' cross section, chirality and rigidity permits formation of centrosymmetric and/or non-centrosymmetric hexagonal, rectangular and oblique nets. The results suggest that all possible two-dimensional crystal nets may be formed thereby yielding new materials and model systems.

AB - Atom-atom potential calculations of planar lattices using a Buckingham potential for model alkane amphiphiles are reported. Of the seventeen planar space groups possible, it is shown that proper control of the amphiphiles' cross section, chirality and rigidity permits formation of centrosymmetric and/or non-centrosymmetric hexagonal, rectangular and oblique nets. The results suggest that all possible two-dimensional crystal nets may be formed thereby yielding new materials and model systems.

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DO - 10.1016/0009-2614(92)86067-R

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VL - 194

SP - 370

EP - 374

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

ER -

Crystal engineering in two dimensions: a calculative investigation

Abstract

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