The structure and dynamics of CO2 on NaCl(001) studied by helium atom scattering

Lange, Gerrit; Schmicker, D.; Toennies, J. P.; Vollmer, R.; Weiß, Helmut

doi:10.1063/1.469706

Cited by 32 publications

(18 citation statements)

References 54 publications

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“…Layer-by-layer growth, although being rather common, 22 is unusual for physisorbed systems of the type considered here. [4][5][6]9,10 Indeed, for simple molecule adsorption on ionic crystal surfaces the Stranski-Krastanov ͑SK͒ growth mode, in which three-dimensional island growth fol-lows the formation of the first monolayer, is generally observed. The only other physisorption molecule system showing layer-by-layer growth is CH 4 on MgO͑001͒ where both adsorption isotherms and neutron diffraction reveal FM growth also, up to five layers.…”

Section: A Growth Studiesmentioning

confidence: 99%

Two phases of acetylene adsorbed on NaCl(001) studied by high-resolution helium atom scattering

Glebov¹,

Miller²,

Toennies³

1997

The Journal of Chemical Physics

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Articles you may be interested inAtomic scattering from an adsorbed monolayer solid with a helium beam that penetrates to the substrate A helium atom scattering study of the structure and dynamics of a Xe monolayer on NaCl (001) Experimental and theoretical studies of the monolayer structure of OCS adsorbed on NaCl(001): Coexistence of orientationally inequivalent phases A helium atom scattering study of the growth and dynamics of CH 4 and C 2 H 6 on Cu (001) High-resolution helium atom scattering ͑HAS͒ has been used to identify two stable phases of acetylene physisorbed on NaCl͑001͒. Deposition at a surface temperature T s ϭ90 K gives rise to a single stable low density phase ͑phase I͒. At T s ϭ80 K phase I formed first, but growth continues to form a second, higher density phase. At T s Ϸ50 K we observe layer by layer growth up to at least five layers of acetylene. The symmetries of the high and low temperature phases have been determined from HAS diffraction patterns. Structural models for both phases are proposed based upon the results of the HAS and previous IR studies. Adsorption of C 2 D 2 on NaCl͑001͒ has also been investigated. No differences in the structures of C 2 D 2 and C 2 H 2 monolayers were observed.

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Section: A Growth Studiesmentioning

confidence: 99%

Two phases of acetylene adsorbed on NaCl(001) studied by high-resolution helium atom scattering

Glebov¹,

Miller²,

Toennies³

1997

The Journal of Chemical Physics

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“…4 Another most valuable tool for investigating the interaction of molecules with well-defined alkali halide surfaces is the elastic and inelastic scattering of atoms and molecules from the surfaces, in particular helium atom beam diffraction and time of flight spectroscopy. 5,6 A wealth of information is available concerning the scattering of H 2 from alkali halides, specifically LiF͑001͒. Inclusion of the quadrupole-ionic lattice interaction in the theory leads to large differences between the diffraction of H 2 in its Jϭ0 and Jϭ1 rotational states.…”

Section: Introductionmentioning

confidence: 99%

Monolayers of ortho-H2, para-H2, para-D2 and normal-H2 adsorbed on NaCl(001) single crystal surfaces

Heidberg

Voßberg

Hustedt

et al. 1999

The Journal of Chemical Physics

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Articles you may be interested inThe structure of N2 adsorbed on the rumpled NaCl(100) surface-A combined LEED and DFT-D study J. Chem. Phys. 137, 174705 (2012); 10.1063/1.4764299The monolayer structure of CO 2 adsorbed on the NaCl(100) single crystal surface: A tensor low-energy electron diffraction analysis A two-dimensional quantum crystal: H 2 on NaCl (100) Experimental and theoretical studies of the monolayer structure of OCS adsorbed on NaCl(001): Coexistence of orientationally inequivalent phases Monolayers of pure ortho-H 2 , para-H 2 , para-D 2 and normal-H 2 adsorbed on NaCl͑001͒ single crystal surfaces were investigated at temperatures Tу10 K and pressures between 1ϫ10 Ϫ10 and 1ϫ10 Ϫ5 mbar by polarization Fourier transform infrared attenuated total internal reflection spectroscopy ͑PIRS-ATR͒. Single induced polarized infrared absorptions of the fundamental vibrational modes of pure (M ϭ͉1͉) ortho-H 2 and para-H 2 , as well as pure (M ϭ͉1͉) para-D 2 and, slightly shifted, in the mixture of normal-H 2 were observed, allowing definite assignments of each. With respect to the gas phase values, the wave numbers were measured to be redshifted by 32.0 and 28.0 cm Ϫ1 for pure (M ϭ͉1͉) ortho-H 2 and para-H 2 . In close agreement with potential calculations, these absorptions were assigned to H 2 molecules adsorbed on the cation sites of the large NaCl͑001͒ terraces, while neither the absorptions associated with H 2 adsorption above defects nor the absorptions of (M ϭ0) H 2 molecules above the anion sites, detected on microcrystallite surfaces at lower temperature, are observed under the conditions set. The present experiments corroborate the fact that the NaCl surface discriminates between the (M ϭ͉1͉) ortho-, (M ϭ0) ortho-and paraspecies. The lateral interactions have no influence on the stable sites and the discrimination, but they contribute by an additional shift of the peak frequencies of about 15%. Moreover, with polarized light, induced transition dipole moments perpendicular to the surface for ortho-H 2 , para-H 2 and para-D 2 were observed, while none parallel to the surface was detected. These results are in accordance with the calculations showing that the s-component of the polarization disappears due to free rotation of the H 2 (D 2 ) molecules in a plane parallel to the surface, while the p-component gives a maximum intensity. The integrated cross sections Ќ were measured and found to have the same order of magnitude: (6Ϯ3)ϫ10 Ϫ22 m/molecule for (M ϭ͉1͉) ortho-H 2 and (4Ϯ2)ϫ10 Ϫ22 m/molecule for para-H 2 within the error limits; the theoretical value is 4.5ϫ10 Ϫ22 m/molecule for both species. Applying the extended Langmuir equation, the difference between the desorption energies (E des ortho ϪE des para ) of (Mϭ͉1͉) ortho-H 2 and para-H 2 adsorbed on the ͑001͒ terraces of NaCl͑film͒ was determined to be 0.6Ϯ0.2 kJ/mol, in agreement with the calculated value ͑0.8 kJ/mol͒. Assuming that the sticking coefficients of (M ϭ͉1͉) ortho-H 2 and para-H 2 are not dependent on temperature between 17 and 30 K,...

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“…Experimental evidence of 2D solid phases of CO 2 has been shown through adsorption of CO 2 on surface (34)(35)(36)(37)(38)(39). For example, CO 2 adsorbed on NaCl (001) surface can form ML herringbone structure where all CO 2 molecules are tilted against the surface (35,36,38).…”

Section: Significancementioning

confidence: 99%

Two-dimensional dry ices with rich polymorphic and polyamorphic phase behavior

Bai

Francisco

Zeng

2018

Proc. Natl. Acad. Sci. U.S.A.

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Both carbon dioxide (CO2) and water (H2O) are triatomic molecules that are ubiquitous in nature, and both are among the five most abundant gases in the Earth’s atmosphere. At low temperature and ambient pressure, both CO2 and H2O form molecular crystals––dry ice I and ice Ih. Because water possesses distinctive hydrogen bonds, it exhibits intricate and highly pressure-dependent phase behavior, including at least 17 crystalline ice phases and three amorphous ice phases. In contrast, due to its weak van der Waals intermolecular interactions, CO2 exhibits fewer crystalline phases except at extremely high pressures, where nonmolecular ordered structures arise. Herein, we show the molecular dynamics simulation results of numerous 2D polymorphs of CO2 molecules in slit nanopores. Unlike bulk polymorphs of CO2, 2D CO2 polymorphs exhibit myriad crystalline and amorphous structures, showing remarkable polymorphism and polyamorphism. We also show that depending on the thermodynamic path, 2D solid-to-solid phase transitions can give rise to previously unreported structures, e.g., wave-like amorphous CO2 structures. Our simulation also suggests intriguing structural connections between 2D and 3D dry ice phases (e.g., Cmca and PA-3) and offers insights into CO2 polyamorphic transitions through intermediate liquid or amorphous phases.

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The structure and dynamics of CO2 on NaCl(001) studied by helium atom scattering

Cited by 32 publications

References 54 publications

Two phases of acetylene adsorbed on NaCl(001) studied by high-resolution helium atom scattering

Two phases of acetylene adsorbed on NaCl(001) studied by high-resolution helium atom scattering

Monolayers of ortho-H2, para-H2, para-D2 and normal-H2 adsorbed on NaCl(001) single crystal surfaces

Two-dimensional dry ices with rich polymorphic and polyamorphic phase behavior

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