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Advanced Spectroscopy for the Study of Gas-Solid Interactions

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Chemical and Molecular Sciences".

Deadline for manuscript submissions: closed (31 March 2021) | Viewed by 7197

Special Issue Editors


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Guest Editor
Saint-Petersburg State University, 199034 Saint Petersburg, Russia
Interests: molecular physics; solid state physics; adsorption; heterogeneous catalysis; FTIR spectroscopy of adsorbed molecules

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Guest Editor
Department of Chemistry, University of the Balearic Islands, E-07122 Palma, Spain
Interests: zeolites; nanostructured materials; gas adsorption; gas–solid interaction; heterogeneous catalysis; reactivity of solids, environmental science
Special Issues, Collections and Topics in MDPI journals

E-Mail Website1 Website2 Website3
Guest Editor
Department of Chemistry, University of the Balearic Islands, E-07122 Palma, Spain
Interests: zeolites; periodic porous solids; gas adsorption; gas–solid interaction; nanodrug delivery; water purification; absorption
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

As an introduction to this Special Issue of Applied Sciences, let us briefly state that gas–solid interactions, leading to either physisorption or chemisorption, are deeply involved in a wide range of industrial processes, which span the fields of gas separation and purification technology, gas sensing, pollution control, and heterogeneous catalysis, to quote only some main examples. Progress in these fields calls for an increasing understanding of both the detailed nature of the gas adsorption sites and the structure and stability (or reactivity) of the corresponding gas adsorption complex. To that endeavor, a panoply of spectroscopic techniques is currently being applied, such as IR and Raman spectroscopy, UV-vis and photoluminescence, MAS-NMR, photoelectron spectroscopy, EXAFS and XANES, EPR, and several others.

Moreover, often, two (or more) spectroscopic techniques are used together in a judicious combination. There is also an ever-increasing use of theoretical (DFT) calculations to facilitate understanding of experimental results, for instance, in molecular dynamics or to detect transition states in catalytic processes. Simultaneously, on the experimental side, ad hoc spectroscopic cells (or reactors) are frequently designed in order to enlarge the versatility of spectroscopic measurements, for instance, when performing operando surface spectroscopy. This Special Issue is designed precisely to cover recent developments in spectroscopy, as applied to any of the foregoing (or related) fields. Research articles, short communications or reviews exemplifying any of those developments would be very welcome.

Prof. Dr. Alexey A. Tsyganenko
Prof. Dr. Carlos Otero Arean
Dr. Montserrat Rodríguez Delgado
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Applied Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Chemisorption
  • DFT calculations
  • Gas purification
  • Gas sensing
  • Gas separation
  • Gas–solid interaction
  • Heterogeneous catalysis
  • Molecular dynamics
  • Physisorption
  • Pollution control
  • Electron energy loss spectroscopy (EELS)
  • EXAFS, XANES
  • Inelastic neutron scattering
  • IR and Raman spectroscopy
  • MAS-NMR
  • Operando surface spectroscopy
  • Photoluminescence
  • UV-vis spectroscopy
  • Photoelectron spectroscopy (PES)

Published Papers (3 papers)

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Research

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13 pages, 31966 KiB  
Article
Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry
by Timur Aminev, Irina Krauklis, Oleg Pestsov and Alexey Tsyganenko
Appl. Sci. 2021, 11(16), 7683; https://doi.org/10.3390/app11167683 - 20 Aug 2021
Cited by 2 | Viewed by 1686
Abstract
The adsorption of different isotopic ozone mixtures on TiO2 at 77K was studied using FTIR spectroscopy and DFT calculations of cluster models. In addition to weakly bound ozone with band positions close to those of free or dissolved molecules, the spectrum of [...] Read more.
The adsorption of different isotopic ozone mixtures on TiO2 at 77K was studied using FTIR spectroscopy and DFT calculations of cluster models. In addition to weakly bound ozone with band positions close to those of free or dissolved molecules, the spectrum of chemisorbed species was observed. The splitting of the ν1+3 combination band to eight maxima due to different isotopomers testified to the loss of molecule symmetry. The frequencies of all the isotopic modifications of the ozone molecules which form monodentate or bidentate complexes with four- or five-coordinated titanium atoms were calculated and compared with those of experimentally observed spectra. The four considered complexes adequately reproduced the splitting of the ν1+3 vibration band and the lowered anharmonism of chemisorbed O3. The energetically most favorable monodentate complex with four-coordinated titanium atoms showed good agreement with the observed spectra, although a large difference between the frequencies of ν1 and ν3 modes was found. For better coherence with the experiment, the interaction of the molecule with adjacent cations must be considered. Full article
(This article belongs to the Special Issue Advanced Spectroscopy for the Study of Gas-Solid Interactions)
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16 pages, 3494 KiB  
Article
Few-Layered MoS2 Nanoparticles Covering Anatase TiO2 Nanosheets: Comparison between Ex Situ and In Situ Synthesis Approaches
by Rosangela Santalucia, Tiziano Vacca, Federico Cesano, Gianmario Martra, Francesco Pellegrino and Domenica Scarano
Appl. Sci. 2021, 11(1), 143; https://doi.org/10.3390/app11010143 - 25 Dec 2020
Cited by 6 | Viewed by 2775
Abstract
MoS2/TiO2 nanostructures made of MoS2 nanoparticles covering TiO2 nanosheets have been synthesized, either via ex situ or in situ approaches. The morphology and structure of the MoS2/TiO2 hybrid nanostructures have been investigated and imaged by [...] Read more.
MoS2/TiO2 nanostructures made of MoS2 nanoparticles covering TiO2 nanosheets have been synthesized, either via ex situ or in situ approaches. The morphology and structure of the MoS2/TiO2 hybrid nanostructures have been investigated and imaged by means of X-ray diffraction (XRD) analysis and high-resolution transmission electron microscopy (HRTEM), while the vibrational and optical properties have been investigated by Raman, Fourier-transform infrared (FTIR), and UV−visible (UV–vis) spectroscopies. Different stacking levels and MoS2 nanosheets distribution on TiO2 nanosheets have been carefully evaluated from HRTEM images. Surface sites on the main exposed faces of both materials have been established by means of in situ FTIR spectra of CO probe molecule adsorption. The results of the ex situ and in situ approaches are compared to underline the role of the synthesis processes affecting the morphology and structure of MoS2 nanosheets, such as curvature, surface defects, and stacking order. It will be shown that as a result of the in situ approach, the reactivity of the TiO2 nanosheets and hence, in turn, the MoS2–TiO2 nanosheets interaction are modified. Full article
(This article belongs to the Special Issue Advanced Spectroscopy for the Study of Gas-Solid Interactions)
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Review

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17 pages, 4579 KiB  
Review
Structure and Stability of Gas Adsorption Complexes in Periodic Porous Solids as Studied by VTIR Spectroscopy: An Overview
by Montserrat R. Delgado
Appl. Sci. 2020, 10(23), 8589; https://doi.org/10.3390/app10238589 - 30 Nov 2020
Cited by 5 | Viewed by 2295
Abstract
Variable-temperature infrared (VTIR) spectroscopy is an instrumental technique that enables structural characterization of gas-solid adsorption complexes by analysis of meaningful vibrational modes, and simultaneous determination of the standard enthalpy change (ΔH0) involved in the gas adsorption process, which allows one [...] Read more.
Variable-temperature infrared (VTIR) spectroscopy is an instrumental technique that enables structural characterization of gas-solid adsorption complexes by analysis of meaningful vibrational modes, and simultaneous determination of the standard enthalpy change (ΔH0) involved in the gas adsorption process, which allows one to quantify the stability of the corresponding complex. This is achieved by a van’t Hoff analysis of a set of IR spectra recorded over a sufficiently large temperature range. Herein, the use of this versatile spectroscopic technique is demonstrated by reviewing its application to the study of carbon monoxide, carbon dioxide and dinitrogen adsorption on several (alkaline) zeolites, which can be regarded as the archetype of periodic porous solids. Full article
(This article belongs to the Special Issue Advanced Spectroscopy for the Study of Gas-Solid Interactions)
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