---
_id: '55999'
abstract:
- lang: eng
text: Clean hydrogen is a key aspect of carbon neutrality, necessitating robust
methods for monitoring hydrogen concentration in critical infrastructures like
pipelines or power plants. While semiconducting metal oxides such as In2O3 can
monitor gas concentrations down to the ppm range, they often exhibit cross-sensitivity
to other gases like H2O. In this study, we investigated whether cyclic optical
illumination of a gas-sensitive In2O3 layer creates identifiable changes in a
gas sensor´s electronic resistance that can be linked to H2 and H2O concentrations
via machine learning. We exposed nanostructured In2O3 with a large surface area
of 95 m2 g-1 to H2 concentrations (0-800 ppm) and relative humidity (0-70%) under
cyclic activation utilizing blue light. The sensors were tested for 20 classes
of gas combinations. A support vector machine achieved classification rates up
to 92.0%, with reliable reproducibility (88.2 ± 2.7%) across five individual sensors
using 10-fold cross-validation. Our findings suggest that cyclic optical activation
can be used as a tool to classify H2 and H2O concentrations.
article_type: original
author:
- first_name: 'Dominik '
full_name: 'Baier, Dominik '
last_name: Baier
- first_name: 'Alexander '
full_name: 'Krüger, Alexander '
last_name: Krüger
- first_name: 'Thorsten '
full_name: 'Wagner, Thorsten '
last_name: Wagner
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Christian
full_name: Weinberger, Christian
id: '11848'
last_name: Weinberger
citation:
ama: 'Baier D, Krüger A, Wagner T, Tiemann M, Weinberger C. Gas Sensing with Nanoporous
In2O3 under Cyclic Optical Activation: Machine Learning-Aided Classification of
H2 and H2O. Chemosensors. 2024;12(9):178. doi:10.3390/chemosensors12090178'
apa: 'Baier, D., Krüger, A., Wagner, T., Tiemann, M., & Weinberger, C. (2024).
Gas Sensing with Nanoporous In2O3 under Cyclic Optical Activation: Machine Learning-Aided
Classification of H2 and H2O. Chemosensors, 12(9), 178. https://doi.org/10.3390/chemosensors12090178'
bibtex: '@article{Baier_Krüger_Wagner_Tiemann_Weinberger_2024, title={Gas Sensing
with Nanoporous In2O3 under Cyclic Optical Activation: Machine Learning-Aided
Classification of H2 and H2O}, volume={12}, DOI={10.3390/chemosensors12090178},
number={9}, journal={Chemosensors}, publisher={MDPI}, author={Baier, Dominik and
Krüger, Alexander and Wagner, Thorsten and Tiemann, Michael and Weinberger,
Christian}, year={2024}, pages={178} }'
chicago: 'Baier, Dominik , Alexander Krüger, Thorsten Wagner, Michael Tiemann,
and Christian Weinberger. “Gas Sensing with Nanoporous In2O3 under Cyclic Optical
Activation: Machine Learning-Aided Classification of H2 and H2O.” Chemosensors
12, no. 9 (2024): 178. https://doi.org/10.3390/chemosensors12090178.'
ieee: 'D. Baier, A. Krüger, T. Wagner, M. Tiemann, and C. Weinberger, “Gas Sensing
with Nanoporous In2O3 under Cyclic Optical Activation: Machine Learning-Aided
Classification of H2 and H2O,” Chemosensors, vol. 12, no. 9, p. 178, 2024,
doi: 10.3390/chemosensors12090178.'
mla: 'Baier, Dominik, et al. “Gas Sensing with Nanoporous In2O3 under Cyclic Optical
Activation: Machine Learning-Aided Classification of H2 and H2O.” Chemosensors,
vol. 12, no. 9, MDPI, 2024, p. 178, doi:10.3390/chemosensors12090178.'
short: D. Baier, A. Krüger, T. Wagner, M. Tiemann, C. Weinberger, Chemosensors 12
(2024) 178.
date_created: 2024-09-03T13:49:42Z
date_updated: 2025-11-26T12:14:21Z
ddc:
- '540'
department:
- _id: '2'
- _id: '307'
doi: 10.3390/chemosensors12090178
file:
- access_level: closed
content_type: application/pdf
creator: cweinber
date_created: 2024-09-03T13:58:18Z
date_updated: 2024-09-03T13:58:18Z
file_id: '56000'
file_name: chemosensors-12-00178.pdf
file_size: 3275869
relation: main_file
success: 1
file_date_updated: 2024-09-03T13:58:18Z
has_accepted_license: '1'
intvolume: ' 12'
issue: '9'
keyword:
- resistive gas sensor
- chemiresistor
- semiconductor
- metal oxide
- In2O3
- mesoporous
- hydrogen
- humidtiy
- machine learning
- sustainable
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://www.mdpi.com/2227-9040/12/9/178
oa: '1'
page: '178'
publication: Chemosensors
publication_identifier:
issn:
- 2227-9040
publication_status: published
publisher: MDPI
quality_controlled: '1'
status: public
title: 'Gas Sensing with Nanoporous In2O3 under Cyclic Optical Activation: Machine
Learning-Aided Classification of H2 and H2O'
type: journal_article
user_id: '11848'
volume: 12
year: '2024'
...
---
_id: '63956'
abstract:
- lang: eng
text: The synthesis of novel robust and stable iridium-based immobilized catalysts
on silica-polymer hybrid materials (Si-PB-Ir) is described. These catalysts are
characterized by a combination of 1D P-31 CP-MAS and 2D P-31-H-1 HETCOR and J-resolved
multinuclear solid state NMR experiments. Different binding situations such as
singly and multiply coordinated phosphines are identified. Density functional
theory (DFT) calculations are performed to corroborate the interpretation of the
experimental NMR data, in order to propose a structural model of the heterogenized
catalysts. Finally, the catalytic activity of the Si-PB-Ir catalysts is investigated
for the hydrogenation of styrene employing para-enriched hydrogen gas.
author:
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: S.
full_name: Alkhagani, S.
last_name: Alkhagani
- first_name: N.
full_name: Rothermel, N.
last_name: Rothermel
- first_name: H. H.
full_name: Limbach, H. H.
last_name: Limbach
- first_name: H.
full_name: Breitzke, H.
last_name: Breitzke
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: Gutmann T, Alkhagani S, Rothermel N, Limbach HH, Breitzke H, Buntkowsky G.
P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel
heterogenized Iridium-Catalysts. Zeitschrift Fur Physikalische Chemie-International
Journal of Research in Physical Chemistry & Chemical Physics. 2017;231(3):653–669.
doi:10.1515/zpch-2016-0837
apa: Gutmann, T., Alkhagani, S., Rothermel, N., Limbach, H. H., Breitzke, H., &
Buntkowsky, G. (2017). P-31-Solid-State NMR Characterization and Catalytic Hydrogenation
Tests of Novel heterogenized Iridium-Catalysts. Zeitschrift Fur Physikalische
Chemie-International Journal of Research in Physical Chemistry & Chemical
Physics, 231(3), 653–669. https://doi.org/10.1515/zpch-2016-0837
bibtex: '@article{Gutmann_Alkhagani_Rothermel_Limbach_Breitzke_Buntkowsky_2017,
title={P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests
of Novel heterogenized Iridium-Catalysts}, volume={231}, DOI={10.1515/zpch-2016-0837},
number={3}, journal={Zeitschrift Fur Physikalische Chemie-International Journal
of Research in Physical Chemistry & Chemical Physics}, author={Gutmann, Torsten
and Alkhagani, S. and Rothermel, N. and Limbach, H. H. and Breitzke, H. and Buntkowsky,
G.}, year={2017}, pages={653–669} }'
chicago: 'Gutmann, Torsten, S. Alkhagani, N. Rothermel, H. H. Limbach, H. Breitzke,
and G. Buntkowsky. “P-31-Solid-State NMR Characterization and Catalytic Hydrogenation
Tests of Novel Heterogenized Iridium-Catalysts.” Zeitschrift Fur Physikalische
Chemie-International Journal of Research in Physical Chemistry & Chemical
Physics 231, no. 3 (2017): 653–669. https://doi.org/10.1515/zpch-2016-0837.'
ieee: 'T. Gutmann, S. Alkhagani, N. Rothermel, H. H. Limbach, H. Breitzke, and G.
Buntkowsky, “P-31-Solid-State NMR Characterization and Catalytic Hydrogenation
Tests of Novel heterogenized Iridium-Catalysts,” Zeitschrift Fur Physikalische
Chemie-International Journal of Research in Physical Chemistry & Chemical
Physics, vol. 231, no. 3, pp. 653–669, 2017, doi: 10.1515/zpch-2016-0837.'
mla: Gutmann, Torsten, et al. “P-31-Solid-State NMR Characterization and Catalytic
Hydrogenation Tests of Novel Heterogenized Iridium-Catalysts.” Zeitschrift
Fur Physikalische Chemie-International Journal of Research in Physical Chemistry
& Chemical Physics, vol. 231, no. 3, 2017, pp. 653–669, doi:10.1515/zpch-2016-0837.
short: T. Gutmann, S. Alkhagani, N. Rothermel, H.H. Limbach, H. Breitzke, G. Buntkowsky,
Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical
Chemistry & Chemical Physics 231 (2017) 653–669.
date_created: 2026-02-07T15:35:41Z
date_updated: 2026-02-17T16:18:04Z
doi: 10.1515/zpch-2016-0837
extern: '1'
intvolume: ' 231'
issue: '3'
keyword:
- Chemistry
- dynamic nuclear-polarization
- solid-state nmr
- DFT
- heterogeneous catalysis
- hydrido complexes
- hydrogenation
- immobilized catalyst
- inorganic hybrid
- iridium
- materials
- mesoporous
- molecular-orbital methods
- PHIP
- phosphine complexes
- reusable catalysts
- silica
- solid-state-NMR
- wilkinsons catalyst
language:
- iso: eng
page: 653–669
publication: Zeitschrift Fur Physikalische Chemie-International Journal of Research
in Physical Chemistry & Chemical Physics
publication_identifier:
issn:
- 0942-9352
status: public
title: P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of
Novel heterogenized Iridium-Catalysts
type: journal_article
user_id: '100715'
volume: 231
year: '2017'
...