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

Zhong, Jian-Qiang; Wang, Mengen; Akter, Nusnin; Kestell, John D.; Boscoboinik, Alejandro M.; Kim, Taejin; Stacchiola, Dario J.; Lu, Deyu; Boscoboinik, J. Anibal

doi:10.1038/ncomms16118

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:

Zhong, Jian-Qiang ^[1]; Wang, Mengen ^[2]; Akter, Nusnin ^[2]; Kestell, John D. ^[1]; Boscoboinik, Alejandro M. ^[3]; Kim, Taejin ^[4];

^[1]; Lu, Deyu ^[1]; Boscoboinik, J. Anibal ^[1]

Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials
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
National Univ. of San Luis (Argentina). Inst. of Applied Physics
Stony Brook Univ., NY (United States). Dept. of Materials Science and Chemical Engineering

Publication Date:: Mon Jul 17 00:00:00 EDT 2017

Research Org.:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

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:: 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.

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                    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.  https://doi.org/10.1038/ncomms16118

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                    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.  https://doi.org/10.1038/ncomms16118.  https://www.osti.gov/servlets/purl/1389252.

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@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 referencing / citing this record:

Ionization‐Facilitated Formation of 2D (Alumino)Silicate–Noble Gas Clathrate Compounds
journal, March 2019

Zhong, Jian‐Qiang; Wang, Mengen; Akter, Nusnin
Advanced Functional Materials, Vol. 29, Issue 20
DOI: 10.1002/adfm.201806583

Chemistry in confined space through the eyes of surface science—2D porous materials
journal, December 2018

Boscoboinik, J. Anibal
Journal of Physics: Condensed Matter, Vol. 31, Issue 6
DOI: 10.1088/1361-648x/aaf2ce

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

Abstract

Citation Formats

Thermal desorption of gases journal, July 1962

Assessing zeolite frameworks for noble gas separations through a joint experimental and computational approach journal, March 2016

CO adsorption on a silica bilayer supported on Ru(0001) journal, June 2016

Tuning the electronic structure of ultrathin crystalline silica films on Ru(0001) journal, February 2012

Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities journal, January 2013

Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities journal, January 2013

Immobilizing Individual Atoms beneath a Corrugated Single Layer of Boron Nitride journal, April 2013

Separation of rare gases and chiral molecules by selective binding in porous organic cages journal, July 2014

Atomic Arrangement in Two-Dimensional Silica: From Crystalline to Vitreous Structures journal, September 2012

Oxygen induced reconstruction of a close-packed surface: A LEED IV study on Ru(001)-p(2 × 1)O journal, October 1989

Chemical accuracy for the van der Waals density functional journal, December 2009

Testing several recent van der Waals density functionals for layered structures journal, August 2014

Kr/Xe Separation over a Chabazite Zeolite Membrane journal, August 2016

Permeation of a Single-Layer SiO 2 Membrane and Chemistry in Confined Space journal, June 2014

Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe 2 journal, March 2016

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

Thin silica films on Ru(0001): monolayer, bilayer and three-dimensional networks of [SiO4] tetrahedra journal, January 2012

Rare gases physisorbed on Pt(): a low-temperature STM investigation journal, July 2002

Oxidation of the Ru(0001) surface covered by weakly bound, ultrathin silicate films journal, April 2016

Exploring Zeolite Chemistry with the Tools of Surface Science: Challenges, Opportunities, and Limitations journal, September 2014

Energy Level Shifts at the Silica/Ru(0001) Heterojunction Driven by Surface and Interface Dipoles journal, September 2016

Numerical investigation of the validity of the Slater-Janak transition-state model in metallic systems journal, October 2005

Phase diagram and adsorption-desorption kinetics of CO on Ru(0001) from first principles journal, March 2007

Crystalline-Vitreous Interface in Two Dimensional Silica journal, September 2012

Xenon adsorption in synthetic chabazite zeolites journal, April 2010

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

Phase diagram and adsorption-desorption kinetics of CO on Ru(0001) from first principles journal, March 2007

Growth and Characterization of Crystalline Silica Films on Pd(100) journal, November 2013

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

Surface Trapping of Atoms and Molecules with Dipole Rings journal, March 2008

Understanding surface core-level shifts using the Auger parameter: A study of Pd atoms adsorbed on ultrathin SiO 2 films journal, March 2014

Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional journal, January 2014

Kr/Xe Separation over a Chabazite Zeolite Membrane journal, August 2016

Testing several recent van der Waals density functionals for layered structures journal, August 2014

Assessing the Acidity of High Silica Chabazite H−SSZ-13 by FTIR Using CO as Molecular Probe: Comparison with H−SAPO-34 journal, February 2005

Noble Gas Immobilization in Zeolites journal, November 1982

Interaction of Probe Molecules with Bridging Hydroxyls of Two-Dimensional Zeolites: A Surface Science Approach journal, June 2013

Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe 2 journal, March 2016

Separation of rare gases and chiral molecules by selective binding in porous organic cages journal, July 2014

Modeling Zeolites with Metal-Supported Two-Dimensional Aluminosilicate Films journal, April 2012

Assessing the Acidity of High Silica Chabazite H−SSZ-13 by FTIR Using CO as Molecular Probe: Comparison with H−SAPO-34 journal, February 2005

Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111) journal, December 1992

Adsorption of Au and Pd on Ruthenium-Supported Bilayer Silica journal, August 2014

Microporous and mesoporous materials for gas storage and separation: a review: MICROPOROUS AND MESOPOROUS MATERIALS FOR GAS STORAGE AND SEPARATION journal, March 2013

Thin silica films on Ru(0001): monolayer, bilayer and three-dimensional networks of [SiO4] tetrahedra journal, January 2012

Exploring Zeolite Chemistry with the Tools of Surface Science: Challenges, Opportunities, and Limitations journal, September 2014

Oxidation and Reduction under Cover: Chemistry at the Confined Space between Ultrathin Nanoporous Silicates and Ru(0001) journal, April 2016

Surface Trapping of Atoms and Molecules with Dipole Rings journal, March 2008

Growth and Structure of Crystalline Silica Sheet on Ru(0001) journal, September 2010

Immobilizing Individual Atoms beneath a Corrugated Single Layer of Boron Nitride journal, April 2013

Ionization‐Facilitated Formation of 2D (Alumino)Silicate–Noble Gas Clathrate Compounds journal, March 2019

Chemistry in confined space through the eyes of surface science—2D porous materials journal, December 2018

Thermal desorption of gases
journal, July 1962

Assessing zeolite frameworks for noble gas separations through a joint experimental and computational approach
journal, March 2016

CO adsorption on a silica bilayer supported on Ru(0001)
journal, June 2016

Tuning the electronic structure of ultrathin crystalline silica films on Ru(0001)
journal, February 2012

Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities
journal, January 2013

Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities
journal, January 2013

Immobilizing Individual Atoms beneath a Corrugated Single Layer of Boron Nitride
journal, April 2013

Separation of rare gases and chiral molecules by selective binding in porous organic cages
journal, July 2014

Atomic Arrangement in Two-Dimensional Silica: From Crystalline to Vitreous Structures
journal, September 2012

Oxygen induced reconstruction of a close-packed surface: A LEED IV study on Ru(001)-p(2 × 1)O
journal, October 1989

Chemical accuracy for the van der Waals density functional
journal, December 2009

Testing several recent van der Waals density functionals for layered structures
journal, August 2014

Kr/Xe Separation over a Chabazite Zeolite Membrane
journal, August 2016

Permeation of a Single-Layer SiO ₂ Membrane and Chemistry in Confined Space
journal, June 2014

Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe ₂
journal, March 2016

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

Thin silica films on Ru(0001): monolayer, bilayer and three-dimensional networks of [SiO4] tetrahedra
journal, January 2012

Rare gases physisorbed on Pt(): a low-temperature STM investigation
journal, July 2002

Oxidation of the Ru(0001) surface covered by weakly bound, ultrathin silicate films
journal, April 2016

Exploring Zeolite Chemistry with the Tools of Surface Science: Challenges, Opportunities, and Limitations
journal, September 2014

Energy Level Shifts at the Silica/Ru(0001) Heterojunction Driven by Surface and Interface Dipoles
journal, September 2016

Numerical investigation of the validity of the Slater-Janak transition-state model in metallic systems
journal, October 2005

Phase diagram and adsorption-desorption kinetics of CO on Ru(0001) from first principles
journal, March 2007

Crystalline-Vitreous Interface in Two Dimensional Silica
journal, September 2012

Xenon adsorption in synthetic chabazite zeolites
journal, April 2010

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

Phase diagram and adsorption-desorption kinetics of CO on Ru(0001) from first principles
journal, March 2007

Growth and Characterization of Crystalline Silica Films on Pd(100)
journal, November 2013

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

Surface Trapping of Atoms and Molecules with Dipole Rings
journal, March 2008

Understanding surface core-level shifts using the Auger parameter: A study of Pd atoms adsorbed on ultrathin SiO $_{2}$ films
journal, March 2014

Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
journal, January 2014

Kr/Xe Separation over a Chabazite Zeolite Membrane
journal, August 2016

Testing several recent van der Waals density functionals for layered structures
journal, August 2014

Assessing the Acidity of High Silica Chabazite H−SSZ-13 by FTIR Using CO as Molecular Probe: Comparison with H−SAPO-34
journal, February 2005

Noble Gas Immobilization in Zeolites
journal, November 1982

Interaction of Probe Molecules with Bridging Hydroxyls of Two-Dimensional Zeolites: A Surface Science Approach
journal, June 2013

Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe ₂
journal, March 2016

Separation of rare gases and chiral molecules by selective binding in porous organic cages
journal, July 2014

Modeling Zeolites with Metal-Supported Two-Dimensional Aluminosilicate Films
journal, April 2012

Assessing the Acidity of High Silica Chabazite H−SSZ-13 by FTIR Using CO as Molecular Probe: Comparison with H−SAPO-34
journal, February 2005

Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
journal, December 1992

Adsorption of Au and Pd on Ruthenium-Supported Bilayer Silica
journal, August 2014

Microporous and mesoporous materials for gas storage and separation: a review: MICROPOROUS AND MESOPOROUS MATERIALS FOR GAS STORAGE AND SEPARATION
journal, March 2013

Thin silica films on Ru(0001): monolayer, bilayer and three-dimensional networks of [SiO4] tetrahedra
journal, January 2012

Exploring Zeolite Chemistry with the Tools of Surface Science: Challenges, Opportunities, and Limitations
journal, September 2014

Oxidation and Reduction under Cover: Chemistry at the Confined Space between Ultrathin Nanoporous Silicates and Ru(0001)
journal, April 2016

Surface Trapping of Atoms and Molecules with Dipole Rings
journal, March 2008

Growth and Structure of Crystalline Silica Sheet on Ru(0001)
journal, September 2010

Immobilizing Individual Atoms beneath a Corrugated Single Layer of Boron Nitride
journal, April 2013

Ionization‐Facilitated Formation of 2D (Alumino)Silicate–Noble Gas Clathrate Compounds
journal, March 2019

Chemistry in confined space through the eyes of surface science—2D porous materials
journal, December 2018