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Investigation of the structural anisotropy in a self-assembling glycinate layer on Cu(100) by scanning tunneling microscopy and density functional theory calculations

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Investigation of the structural anisotropy in a self-assembling glycinate layer on Cu(100) by scanning tunneling microscopy and density functional theory calculations. / Kuzmin, Mikhail; Lahtonen, Kimmo; Vuori, Leena; Sánchez-de-Armas, Rocio; Hirsimäki, Mika; Valden, Mika.

julkaisussa: Applied Surface Science, Vuosikerta 409, 04.03.2017, s. 111-116.

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@article{60d0a65ac69344a4981b272ab1484776,
title = "Investigation of the structural anisotropy in a self-assembling glycinate layer on Cu(100) by scanning tunneling microscopy and density functional theory calculations",
abstract = "Self-assembling organic molecule-metal interfaces exhibiting free-electron like (FEL) states offers an attractive bottom-up approach to fabricating materials for molecular electronics. Accomplishing this, however, requires detailed understanding of the fundamental driving mechanisms behind the self-assembly process. For instance, it is still unresolved as to why the adsorption of glycine ([NH2(CH2)COOH]) on isotropic Cu(100) single crystal surface leads, via deprotonation and self-assembly, to a glycinate ([NH2(CH2)COO−]) layer that exhibits anisotropic FEL behavior. Here, we report on bias-dependent scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations for glycine adsorption on Cu(100) single crystal surface. We find that after physical vapor deposition (PVD) of glycine on Cu(100), glycinate self-assembles into an overlayer exhibiting c(2x4) and p(2x4) symmetries with non-identical adsorption sites. Our findings underscore the intricacy of electrical conductivity in nanomolecular organic overlayers and the critical role the structural anisotropy at molecule-metal interface plays in the fabrication of materials for molecular electronics.",
keywords = "Cu(100), STM, Glycine, Glycinate, DFT, Self-assembly, Nanoscience",
author = "Mikhail Kuzmin and Kimmo Lahtonen and Leena Vuori and Rocio S{\'a}nchez-de-Armas and Mika Hirsim{\"a}ki and Mika Valden",
year = "2017",
month = "3",
day = "4",
doi = "10.1016/j.apsusc.2017.03.005",
language = "English",
volume = "409",
pages = "111--116",
journal = "Applied Surface Science",
issn = "0169-4332",
publisher = "Elsevier",

}

RIS (suitable for import to EndNote) - Lataa

TY - JOUR

T1 - Investigation of the structural anisotropy in a self-assembling glycinate layer on Cu(100) by scanning tunneling microscopy and density functional theory calculations

AU - Kuzmin, Mikhail

AU - Lahtonen, Kimmo

AU - Vuori, Leena

AU - Sánchez-de-Armas, Rocio

AU - Hirsimäki, Mika

AU - Valden, Mika

PY - 2017/3/4

Y1 - 2017/3/4

N2 - Self-assembling organic molecule-metal interfaces exhibiting free-electron like (FEL) states offers an attractive bottom-up approach to fabricating materials for molecular electronics. Accomplishing this, however, requires detailed understanding of the fundamental driving mechanisms behind the self-assembly process. For instance, it is still unresolved as to why the adsorption of glycine ([NH2(CH2)COOH]) on isotropic Cu(100) single crystal surface leads, via deprotonation and self-assembly, to a glycinate ([NH2(CH2)COO−]) layer that exhibits anisotropic FEL behavior. Here, we report on bias-dependent scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations for glycine adsorption on Cu(100) single crystal surface. We find that after physical vapor deposition (PVD) of glycine on Cu(100), glycinate self-assembles into an overlayer exhibiting c(2x4) and p(2x4) symmetries with non-identical adsorption sites. Our findings underscore the intricacy of electrical conductivity in nanomolecular organic overlayers and the critical role the structural anisotropy at molecule-metal interface plays in the fabrication of materials for molecular electronics.

AB - Self-assembling organic molecule-metal interfaces exhibiting free-electron like (FEL) states offers an attractive bottom-up approach to fabricating materials for molecular electronics. Accomplishing this, however, requires detailed understanding of the fundamental driving mechanisms behind the self-assembly process. For instance, it is still unresolved as to why the adsorption of glycine ([NH2(CH2)COOH]) on isotropic Cu(100) single crystal surface leads, via deprotonation and self-assembly, to a glycinate ([NH2(CH2)COO−]) layer that exhibits anisotropic FEL behavior. Here, we report on bias-dependent scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations for glycine adsorption on Cu(100) single crystal surface. We find that after physical vapor deposition (PVD) of glycine on Cu(100), glycinate self-assembles into an overlayer exhibiting c(2x4) and p(2x4) symmetries with non-identical adsorption sites. Our findings underscore the intricacy of electrical conductivity in nanomolecular organic overlayers and the critical role the structural anisotropy at molecule-metal interface plays in the fabrication of materials for molecular electronics.

KW - Cu(100)

KW - STM

KW - Glycine

KW - Glycinate

KW - DFT

KW - Self-assembly

KW - Nanoscience

U2 - 10.1016/j.apsusc.2017.03.005

DO - 10.1016/j.apsusc.2017.03.005

M3 - Article

VL - 409

SP - 111

EP - 116

JO - Applied Surface Science

JF - Applied Surface Science

SN - 0169-4332

ER -