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Title: Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems

Abstract

The confinement of noble gases on nanostructured surfaces, in contrast to bulk materials, at non-cryogenic temperatures represents a formidable challenge. Here, individual Ar atoms are trapped at 300 K in nano-cages consisting of (alumino)silicate hexagonal prisms forming a two-dimensional array on a planar surface. The trapping of Ar atoms is detected in situ using synchrotron-based ambient pressure X-ray photoelectron spectroscopy. The atoms remain in the cages upon heating to 400 K. The trapping and release of Ar is studied combining surface science methods and density functional theory calculations. While the frameworks stay intact with the inclusion of Ar atoms, the permeability of gasses (for example, CO) through them is significantly affected, making these structures also interesting candidates for tunable atomic and molecular sieves. Our findings enable the study of individually confined noble gas atoms using surface science methods, opening up new opportunities for fundamental research.

Authors:
 [1];  [2];  [2];  [1];  [3];  [4]; ORCiD logo [1];  [1];  [1]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials; Stony Brook Univ., NY (United States). Dept. of Materials Science and Chemical Engineering
  3. National Univ. of San Luis (Argentina). Inst. of Applied Physics
  4. Stony Brook Univ., NY (United States). Dept. of Materials Science and Chemical Engineering
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1389252
Report Number(s):
BNL-114277-2017-JA
Journal ID: ISSN 2041-1723; R&D Project: 16083/16083; KC0403020
Grant/Contract Number:  
SC0012704; AC02-05CH11231
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 8; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; chemical physics; computational nanotechnology; inorganic chemistry; two-dimensional materials

Citation Formats

Zhong, Jian-Qiang, Wang, Mengen, Akter, Nusnin, Kestell, John D., Boscoboinik, Alejandro M., Kim, Taejin, Stacchiola, Dario J., Lu, Deyu, and Boscoboinik, J. Anibal. Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems. United States: N. p., 2017. Web. doi:10.1038/ncomms16118.
Zhong, Jian-Qiang, Wang, Mengen, Akter, Nusnin, Kestell, John D., Boscoboinik, Alejandro M., Kim, Taejin, Stacchiola, Dario J., Lu, Deyu, & Boscoboinik, J. Anibal. Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems. United States. doi:10.1038/ncomms16118.
Zhong, Jian-Qiang, Wang, Mengen, Akter, Nusnin, Kestell, John D., Boscoboinik, Alejandro M., Kim, Taejin, Stacchiola, Dario J., Lu, Deyu, and Boscoboinik, J. Anibal. Mon . "Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems". United States. doi:10.1038/ncomms16118. https://www.osti.gov/servlets/purl/1389252.
@article{osti_1389252,
title = {Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems},
author = {Zhong, Jian-Qiang and Wang, Mengen and Akter, Nusnin and Kestell, John D. and Boscoboinik, Alejandro M. and Kim, Taejin and Stacchiola, Dario J. and Lu, Deyu and Boscoboinik, J. Anibal},
abstractNote = {The confinement of noble gases on nanostructured surfaces, in contrast to bulk materials, at non-cryogenic temperatures represents a formidable challenge. Here, individual Ar atoms are trapped at 300 K in nano-cages consisting of (alumino)silicate hexagonal prisms forming a two-dimensional array on a planar surface. The trapping of Ar atoms is detected in situ using synchrotron-based ambient pressure X-ray photoelectron spectroscopy. The atoms remain in the cages upon heating to 400 K. The trapping and release of Ar is studied combining surface science methods and density functional theory calculations. While the frameworks stay intact with the inclusion of Ar atoms, the permeability of gasses (for example, CO) through them is significantly affected, making these structures also interesting candidates for tunable atomic and molecular sieves. Our findings enable the study of individually confined noble gas atoms using surface science methods, opening up new opportunities for fundamental research.},
doi = {10.1038/ncomms16118},
journal = {Nature Communications},
number = ,
volume = 8,
place = {United States},
year = {Mon Jul 17 00:00:00 EDT 2017},
month = {Mon Jul 17 00:00:00 EDT 2017}
}

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Works referenced in this record:

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

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