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Insight into the Mechanism of CO Oxidation on WO3(001) Surfaces for Gas Sensing: A DFT Study

Hua Jin, Hegen Zhou, Yongfan Zhang
2017 Sensors  
The mechanism of CO oxidation on the WO 3 (001) surface for gas sensing performance has been systematically investigated by means of first principles density functional theory (DFT) calculations.  ...  Our results show that the oxidation of CO molecule on the perfect WO 3 (001) surface induces the formation of surface oxygen vacancies, which results in an increase of the surface conductance.  ...  Conflicts of Interest: The authors declare no conflict of interest.  ... 
doi:10.3390/s17081898 pmid:28817079 pmcid:PMC5579943 fatcat:45j2dkyhvjawjj6z6zhbv4g57m

Mechanistic Insights into WO3 Sensing and Related Perspectives

Mauro Epifani
2022 Sensors  
Finally, the few investigations of the sensing mechanisms of WO3 are discussed, showing a promising convergence between the proposed hypotheses and several experimental and theoretical studies presented  ...  Tungsten trioxide (WO3) is taking on an increasing level of importance as an active material for chemoresistive sensors.  ...  Experimental studies into the sensing mechanisms of WO 3 have radically modified the common view of chemoresistive sensing.  ... 
doi:10.3390/s22062247 pmid:35336421 pmcid:PMC8950964 fatcat:a6musbfsjvfvhpl57ubqc64h3m

The origin of ultrasensitive SERS sensing beyond plasmonics [article]

Leilei Lan, Yimeng Gao, Xingce Fan, Mingze Li, Qi Hao, Teng Qiu
2021 arXiv   pre-print
This review summarizes the recent developments of plasmon-free SERS substrates and specially focuses on the enhancement mechanisms and the enhancement strategies.  ...  Furthermore, the promising applications of plasmon-free SERS substrates in biomedical diagnosis, metal ions and organic pollutants sensing, chemical and biochemical reactions monitoring, and photoelectric  ...  Acknowledgements References Acknowledgements This work was supported by the National Natural Science Foundation of China  ... 
arXiv:2101.06874v1 fatcat:aer6pyq3bjgmxlblorpkwaxpla

Tungsten-Based Catalysts for Environmental Applications

Fabien Can, Xavier Courtois, Daniel Duprez
2021 Catalysts  
This review is divided into five main parts: structure of tungsten-based catalysts, acidity of supported tungsten oxide catalysts, WO3 catalysts for DeNOx applications, total oxidation of volatile organic  ...  WOx particles can be also dispersed on high specific surface area supports. Based on these behaviors, WO3-based catalysts were developed for numerous environmental applications.  ...  Conflicts of Interest: The authors declare no conflict of interest.  ... 
doi:10.3390/catal11060703 fatcat:fqee3hjs4vcmpbwtiu2hrepdz4

Faceted metal and metal oxide nanoparticles: design, fabrication and catalysis

Jaya Pal, Tarasankar Pal
2015 Nanoscale  
The review focuses on the recent advances in the synthesis and catalytic applications of different low- and high-index-faceted nanomaterials.  ...  But least efficiency for both CO oxidation and gas sensing ability was observed for {001} facet. Tailoring the high index facets of α-Fe2O3 could also play a crucial role for gas sensing.  ...  However, comparatively low energy facet {012} supports better catalytic performance for CO oxidation. For gas sensing {113} facet becomes the best suited one.  ... 
doi:10.1039/c5nr03395k pmid:26255749 fatcat:mrrjafszvfglhfyn3d43yb6r7i

Modeling and Simulations in Photoelectrochemical Water Oxidation: From Single Level to Multiscale Modeling

Xueqing Zhang, Anja Bieberle-Hütter
2016 ChemSusChem  
In particular, we review the mechanisms of the oxygen evolution reaction (OER), strategies to lower overpotential, and computational methods applied to PEC systems with particular focus on multiscale modeling  ...  This review summarizes recent developments, challenges and strategies in the field of modeling and simulations of photoelectrochemical (PEC) water oxidation.  ...  Acknowledgement Zhang acknowledges the financial support from DIFFER for carrying out this study. The authors thank Dr. Peter Klaver, Dr. Paola Diomede, Dr. Egbert Westerhof (DIFFER) and Prof.  ... 
doi:10.1002/cssc.201600214 pmid:27219662 fatcat:2mtplvx7jvfbxegkhx65ovwrmm

Hybrid nanoarchitecturing of hierarchical zinc oxide wool-ball-like nanostructures with multi-walled carbon nanotubes for achieving sensitive and selective detection of sulfur dioxide

Ni Luh Wulan Septiani, Yusuf Valentino Kaneti, Brian Yuliarto, Nugraha, Hermawan Kresno Dipojono, Toshiaki Takei, Jungmok You, Yusuke Yamauchi
2018 Sensors and actuators. B, Chemical  
the resistance changes upon exposure to SO2 gas and (ii) the increased amount of adsorption sites for O2 and SO2 gas molecules owing to the larger surface area of the composite and defects sites generated  ...  Furthermore, in this work we observed an interesting new phenomenon in which when a high concentration of MWCNTs is introduced, many small nanorods grew on the surface of the plate-like structures which  ...  His research interest is on the experimental and theoretical studies of metal oxide nanostructures for gas-sensing applications. Prof.  ... 
doi:10.1016/j.snb.2018.01.088 fatcat:6nt2brbfxvctzfqdkexf7nifse

Synthesis and Applications of WO3 Nanosheets: the Importance of Phase, Stoichiometry, and Aspect Ratio

Travis G Novak, Jin Kim, Paul DeSario, Seokwoo Jeon
2021 Nanoscale Advances  
The exploitation of WO3 in nanosheet form provides potential advantages in...  ...  WO3 is an abundant, versatile oxide that is widely explored in catalysts, sensors, electrochromic devices, and numerous other applications.  ...  As shown in Figure 9a , Zhou et al. reported simultaneous exfoliation and oxidation of bulk WS 2 into a partially oxidized WS 2 /WO 3 hetrostructure, using supercritical CO 2 (sc-CO 2 ). 76 Sc-CO 2  ... 
doi:10.1039/d1na00384d fatcat:fhtgyammyzabnivzed2mcssq3q

Operando Photo-Electrochemical Catalysts Synchrotron Studies

Mikhail A. Soldatov, Pavel V. Medvedev, Victor Roldugin, Ivan N. Novomlinskiy, Ilia Pankin, Hui Su, Qinghua Liu, Alexander V. Soldatov
2022 Nanomaterials  
The latter are hardly available without detailed understanding of the local atomic and electronic structure dynamics and mechanisms of the processes occurring during chemical reactions on the catalyst–electrolyte  ...  The attempts to develop efficient methods of solar energy conversion into chemical fuel are ongoing amid climate changes associated with global warming.  ...  Conflicts of Interest: The authors declare no conflict of interest.  ... 
doi:10.3390/nano12050839 pmid:35269331 pmcid:PMC8912469 fatcat:pvifv4u76jbgtfs2lr4gchlvlq

Recent Advances in Niobium-Based Materials for Photocatalytic Solar Fuel Production

Barbara Nascimento Nunes, Osmando Ferreira Lopes, Antonio Otavio T. Patrocinio, Detlef W. Bahnemann
2020 Catalysts  
Therefore, the aim of this manuscript is to provide a review of the latest developments of niobium based photocatalysts for energy conversion into fuels, more specifically, CO2 reduction to hydrocarbons  ...  Among the studied semiconductor materials, those based on niobium pentacation are still shallowly explored, although the number of publications and patents on Nb(V)-based photocatalysts has increased in  ...  The complexes immobilized on the surfaces of the oxides exhibited much higher turnover number (TON CO ) than those in solution.  ... 
doi:10.3390/catal10010126 fatcat:wuii5qh5zvgqxmjq4w3u65dknu

Hydrogen detection near surfaces and shallow interfaces with resonant nuclear reaction analysis

Markus Wilde, Katsuyuki Fukutani
2014 Surface science reports  
As a unique feature of 15 N NRA, the analysis of Doppler-broadened resonance excitation curves allows for the direct measurement of the zero-point vibrational energy of hydrogen atoms adsorbed on single  ...  Special emphasis is placed on the powerful combination of 1 H( 15 N,) 12 C NRA with surface science techniques of in-situ target preparation and characterization, as the NRA technique is ideally suited  ...  Acknowledgements The authors thank Y. Murata for many valuable discussions, helpful advice, and careful reading of the manuscript.  ... 
doi:10.1016/j.surfrep.2014.08.002 fatcat:zjfk4wgqoncphflshxek7lus5u

Mechanical and electrical characterization of CVD-grown graphene transferred on chalcogenide Ge 2 Sb 2 Te 5 layers

G. D'Arrigo, M. Christian, V. Morandi, G. Favaro, C. Bongiorno, A.M. Mio, M. Russo, A. Sitta, M. Calabretta, A. Sciuto, E. Piccinini, L. D'Urso (+1 others)
2018 Carbon  
The encapsulation of materials for protection and phase separation has evolved into a major interdisciplinary research focus. 1 The utility of microcapsules for efficient cargo storage and targeted release  ...  In order to obtain a homogeneous incorporation of MWCNT within the polymer matrix, a compatibilization strategy of nanofillers through the grafting of epoxy monomers, on their surface was performed.  ...  The versatility of the system is also demonstrated for Pd(II) and for Co(II) [7].  ... 
doi:10.1016/j.carbon.2018.02.046 fatcat:wiqrs5krczgrrahoa7hl2rgtcm

Copper Oxide-Based Photocatalysts and Photocathodes: Fundamentals and Recent Advances

Tomasz Baran, Alberto Visibile, Michael Busch, Xiufang He, Szymon Wojtyla, Sandra Rondinini, Alessandro Minguzzi, Alberto Vertova
2021 Molecules  
The need of a sustainable exploitation of renewable energy sources and the parallel request of reducing pollutant emissions in airborne streams and in waters call for new technologies based on the use  ...  Finally, a short overview on the possible applications of these materials is presented.  ...  Deposition of Pt or other cocatalysts on the surface of copper oxides resulted in a few Deposition of Pt or other cocatalysts on the surface of copper oxides  ... 
doi:10.3390/molecules26237271 pmid:34885863 fatcat:jzrn6npym5gsnbynratpypgjhu

Methods for Expanding the Diversity in the Response of Metal Oxide Based Gas Sensors [article]

Anna Staerz, Universitaet Tuebingen, Universitaet Tuebingen, Weimar, Udo (Prof.)
The work here examines three different options for creating complementary sensors: using a different n-type base metal oxide (WO3), noble surface loading and the creation of metal-oxide-metal-oxide mixtures  ...  As a result, Rh-loading reduces the complementarity of WO3 and SnO2 based sensors. Finally, sensors based on SnO2 and Cr2O3 mixtures were examined. Reports of gas sensors based on combinat [...]  ...  Based on DFT calculations, Han et al. reported that in an Oterminated WO 3 (001), a NO 2 molecule is oxidized into nitrate and is adsorbed onto the surface. 58 They report that in the case of a WO-terminated  ... 
doi:10.15496/publikation-42251 fatcat:c4xwy7seyraeheuokzbudl4jq4

The Unique Properties of Superconductivity in Cuprates

K. A. Müller
2014 Journal of Superconductivity and Novel Magnetism  
The talk will present some of the reasons for the excitement surrounding the LHC, which is expected to yield insights into the origin of mass, the nature of dark matter and into many other key questions  ...  In this talk we review the current status of IBSC focusing on materials [. An emphasis is placed on heavily H-doped LnFeAsO1-xHx which gives a new insight into the origin of high Tc in bulk IBSCs.  ...  We report on the realization of conducting nanodevices particularly suitable for the study of 1D superconductivity.  ... 
doi:10.1007/s10948-014-2751-5 fatcat:hlse4vv7ubborl4ovsy7uomlyq
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