“High throughput first-principles calculations of bixbyite oxides for TCO applications”. Sarmadian N, Saniz R, Partoens B, Lamoen D, Volety K, Huyberechts G, Paul J, Physical chemistry, chemical physics 16, 17724 (2014). http://doi.org/10.1039/c4cp02788d
Abstract: We present a high-throughput computing scheme based on density functional theory (DFT) to generate a class of oxides and screen them with the aim of identifying those that might be electronically appropriate for transparent conducting oxide (TCO) applications. The screening criteria used are a minimum band gap to ensure sufficient transparency, a band edge alignment consistent with easy n- or p-type dopability, and a minimum thermodynamic phase stability to be experimentally synthesizable. Following this scheme we screened 23 binary and 1518 ternary bixbyite oxides in order to identify promising candidates, which can then be a subject of an in-depth study. The results for the known TCOs are in good agreement with the reported data in the literature. We suggest a list of several new potential TCOs, including both n- and p-type compounds.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 4.123
Times cited: 23
DOI: 10.1039/c4cp02788d
|
“Assisted spray pyrolysis production and characterisation of ZnO nanoparticles with narrow size distribution”. Turner S, Tavernier SMF, Huyberechts G, Bals S, Batenburg KJ, Van Tendeloo G, Journal of nanoparticle research 12, 615 (2010). http://doi.org/10.1007/s11051-009-9630-1
Abstract: Nano-sized ZnO particles with a narrow size distribution and high crystallinity were prepared from aqueous solutions with high concentrations of Zn2+ containing salts and citric acid in a conventional spray pyrolysis setup. Structure, morphology and size of the produced material were compared to ZnO material produced by simple spray pyrolysis of zinc nitrates in the same experimental setup. Using transmission electron microscopy and electron tomography it has been shown that citric acid-assisted spray pyrolysed material is made up of micron sized secondary particles comprising a shell of lightly agglomerated, monocrystalline primary ZnO nanoparticles with sizes in the 2030 nm range, separable by a simple ultrasonic treatment step.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.02
Times cited: 27
DOI: 10.1007/s11051-009-9630-1
|
“The effect of sintering and Pd-doping on the conversion of CO to CO2 on SnO2 gas sensor materials”. Delabie L, Honoré, M, Lenaerts S, Huyberechts G, Roggen J, Maes G, Sensors And Actuators B-Chemical 44, 446 (1997). http://doi.org/10.1016/S0925-4005(97)00170-6
Abstract: The principal aim of this work is to study the effect of the processes of sintering and Pd doping of SnO2 gas sensor materials on the conversion of CO to CO2. For this purpose, the gas phase above screen printed sensor material is investigated using FTIR spectroscopy, while surface area, porosity and particle size measurements are performed on the SnO2 powders. During sintering, larger agglomerates of primary particles are formed, which results in a larger conversion degree of CO. The effect of Pd doping of the tin dioxide film on the CO conversion is more pronounced. The transformation of CO starts at a lower temperature and the conversion degree increases remarkably.
Keywords: A1 Journal article
Impact Factor: 5.401
DOI: 10.1016/S0925-4005(97)00170-6
|
“In situ infrared and electrical characterization of tin dioxide gas sensors in nitrogen/oxygen mixtures at temperatures up to 720 K”. Lenaerts S, Honoré, M, Huyberechts G, Roggen J, Maes G, Sensors and actuators : B : chemical 19, 478 (1994). http://doi.org/10.1016/0925-4005(93)01048-9
Abstract: FT-IR spectroscopy and impedance measurements of tin dioxide sensor materials at working temperatures up to 450 °C in atmospheres with varying O2/N2 ratio are used as an in situ probe to study the interactions at the surface of the semiconducting oxide. Every diminution in the oxygen content above the sample induces a broad IR absorption band (X-band) between 2300700 cm−1 with a few small peaks in the 1400850 cm−1 region of the spectrum superimposed on it. The X-band results from the enchanced electron concentration in the bulk of the tin dioxide domain. The fine structure is due to the absorption of several kinds of surface oxygen species associated vibration modes. The porous tin dioxide consists of domains were the outward shell is depleted of electrons by the formation of adsorbed O− species on oxygen surface sites, SO(O− species. In our proposed model for the impedance data this gives rise to a parallel RpCp circuit for the domain boundary characteristics and to an Rs parameter for the intradomain resistance. The evolution of these IR and impedance spectroscopic effects with temperature and oxygen content is used to set up, to confirm and refine a physicochemical operation model of tin dioxide gas sensor. This model consists of a sensitizing reaction sequence in the presence of oxygen and a gas-detection reaction sequence when a reducing gas is present. Based on this model, the principal disadvantages of this type of gas sensor become clear. Every factor that influences the concentration of SO(O−) species, causes a conductance modification. If we can control and direct the nature, the number and the arrangement of the tin dioxide domains, a directed development and improvement of the sensor characteristics is possible.
Keywords: A1 Journal article
DOI: 10.1016/0925-4005(93)01048-9
|
“Synthesis and characterization of tin dioxide powders for the realization of thick-film gas sensors”. Honoré, M, Lenaerts S, Desmet J, Huyberechts G, Roggen J, Sensors and actuators : B : chemical 19, 621 (1994). http://doi.org/10.1016/0925-4005(93)01224-R
Abstract: Semiconductor gas sensors produced with screen-printing techniques and based on home-made tin dioxide inks are presented. The ink consists of home-made tin dioxide powder added to a polymer solution to make it screen printable on 96% alumina substrates. The major work is performed on the preparation and the characterization of pure undoped tin dioxide powder produced by two different synthetic pathways. Inks prepared with powders from each method are consecutively handled in an identical way to obtain gas sensors. The sensor response towards different gases is measured and compared for both types of starting materials.
Keywords: A1 Journal article
DOI: 10.1016/0925-4005(93)01224-R
|
