By the same authors

From the same journal

Reversible Switching of the Spin State in a Manganese Phthalocyanine Molecule by Atomic Nitrogen

Research output: Contribution to journalArticle

Standard

Reversible Switching of the Spin State in a Manganese Phthalocyanine Molecule by Atomic Nitrogen. / SUn, X.; Li, Zeyuan; Jibran, Muhammed; Pratt, Andrew; Yamauchi, Yasushi; Wang, Bing.

In: Physical Chemistry Chemical Physics, 22.11.2017.

Research output: Contribution to journalArticle

Harvard

SUn, X, Li, Z, Jibran, M, Pratt, A, Yamauchi, Y & Wang, B 2017, 'Reversible Switching of the Spin State in a Manganese Phthalocyanine Molecule by Atomic Nitrogen', Physical Chemistry Chemical Physics. https://doi.org/10.1039/C7CP06641D

APA

SUn, X., Li, Z., Jibran, M., Pratt, A., Yamauchi, Y., & Wang, B. (2017). Reversible Switching of the Spin State in a Manganese Phthalocyanine Molecule by Atomic Nitrogen. Physical Chemistry Chemical Physics. https://doi.org/10.1039/C7CP06641D

Vancouver

SUn X, Li Z, Jibran M, Pratt A, Yamauchi Y, Wang B. Reversible Switching of the Spin State in a Manganese Phthalocyanine Molecule by Atomic Nitrogen. Physical Chemistry Chemical Physics. 2017 Nov 22. https://doi.org/10.1039/C7CP06641D

Author

SUn, X. ; Li, Zeyuan ; Jibran, Muhammed ; Pratt, Andrew ; Yamauchi, Yasushi ; Wang, Bing. / Reversible Switching of the Spin State in a Manganese Phthalocyanine Molecule by Atomic Nitrogen. In: Physical Chemistry Chemical Physics. 2017.

Bibtex - Download

@article{cd8a1b1305ab42f78fd70f42e74056f1,
title = "Reversible Switching of the Spin State in a Manganese Phthalocyanine Molecule by Atomic Nitrogen",
abstract = "Reversible control of the spin state of an organic molecule is significant for the development of molecular spintronic devices. Here, density functional theory calculations have been performed to study the adsorption of atomic nitrogen on a single manganese phthalocyanine (MnPc) molecule, three-layered MnPc, and MnPc on an Fe(100) surface. For all three cases, the N atom strongly adsorbs on the top of the Mn atom and induces a significant variation of the geometric, electronic and magnetic properties. After N adsorption, an energy gap appears and the electronic states become unpolarized. Different functionals including three hybrid functions are used in these calculations, and all yield the switchable spin state.",
author = "X. SUn and Zeyuan Li and Muhammed Jibran and Andrew Pratt and Yasushi Yamauchi and Bing Wang",
note = "This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details",
year = "2017",
month = "11",
day = "22",
doi = "10.1039/C7CP06641D",
language = "English",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "The Royal Society of Chemistry",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Reversible Switching of the Spin State in a Manganese Phthalocyanine Molecule by Atomic Nitrogen

AU - SUn, X.

AU - Li, Zeyuan

AU - Jibran, Muhammed

AU - Pratt, Andrew

AU - Yamauchi, Yasushi

AU - Wang, Bing

N1 - This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details

PY - 2017/11/22

Y1 - 2017/11/22

N2 - Reversible control of the spin state of an organic molecule is significant for the development of molecular spintronic devices. Here, density functional theory calculations have been performed to study the adsorption of atomic nitrogen on a single manganese phthalocyanine (MnPc) molecule, three-layered MnPc, and MnPc on an Fe(100) surface. For all three cases, the N atom strongly adsorbs on the top of the Mn atom and induces a significant variation of the geometric, electronic and magnetic properties. After N adsorption, an energy gap appears and the electronic states become unpolarized. Different functionals including three hybrid functions are used in these calculations, and all yield the switchable spin state.

AB - Reversible control of the spin state of an organic molecule is significant for the development of molecular spintronic devices. Here, density functional theory calculations have been performed to study the adsorption of atomic nitrogen on a single manganese phthalocyanine (MnPc) molecule, three-layered MnPc, and MnPc on an Fe(100) surface. For all three cases, the N atom strongly adsorbs on the top of the Mn atom and induces a significant variation of the geometric, electronic and magnetic properties. After N adsorption, an energy gap appears and the electronic states become unpolarized. Different functionals including three hybrid functions are used in these calculations, and all yield the switchable spin state.

U2 - 10.1039/C7CP06641D

DO - 10.1039/C7CP06641D

M3 - Article

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

ER -