Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Selective Detection of Carbon Monoxide on P-Block Doped Monolayers of MoTe₂.

ABSTRACT: CO and CO₂ are among the most commonly monitored gases. However, the currently available semiconductor sensors require heating to ∼400 °C in order to operate effectively. This increases the power demand and shortens their lifespan. Consequently, new material prospects are being investigated. The adoption of novel two-dimensional layered materials is one of the pursued solutions. MoS₂ and MoTe₂ sheets have already been shown sensitive to NO₂ and NH₃ even at room temperature. However, their response to other compounds is limited. Hence, this work investigates, by employing density functional theory (DFT) calculations, the doping of Al, Si, P, S, and Cl atoms into the Te vacancy of MoTe₂, and its impact on the sensing characteristics for CO and CO₂. The computations predict that P doping significantly enhances the molecule-sheet charge transfer (up to +436%) while having only a little effect on the adsorption energy (molecular dynamics show that the molecule can effectively diffuse at 300 K). On the other hand, the doping has a limited impact on the adsorption of CO₂. The relative (CO/CO₂) response of P-doped MoTe₂ is 5.6 compared to the 1.5 predicted for the pristine sheet. Thus, the doping should allow for more selective detection of CO in CO/CO₂ mixtures.

SUBMITTER: Szary MJ

PROVIDER: S-EPMC8805155 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Carbon monoxide and hydrogen (syngas) as a C1-building block for selective catalytic methylation.

Project description:A catalytic reaction using syngas (CO/H2) as feedstock for the selective β-methylation of alcohols was developed whereby carbon monoxide acts as a C1 source and hydrogen gas as a reducing agent. The overall transformation occurs through an intricate network of metal-catalyzed and base-mediated reactions. The molecular complex [Mn(CO)2Br[HN(C2H4P i Pr2)2]] 1 comprising earth-abundant manganese acts as the metal component in the catalytic system enabling the generation of formaldehyde from syngas in a synthetically useful reaction. This new syngas conversion opens pathways to install methyl branches at sp3 carbon centers utilizing renewable feedstocks and energy for the synthesis of biologically active compounds, fine chemicals, and advanced biofuels.

| S-EPMC8179066 | biostudies-literature

Chiral Kondo lattice in doped MoTe2/WSe2 bilayers.

Project description:We theoretically study the interplay between magnetism and a heavy Fermi liquid in the AB-stacked transition metal dichalcogenide bilayer system, MoTe2/WSe2, in the regime in which the Mo layer supports localized magnetic moments coupled by interlayer electron tunneling to a weakly correlated band of itinerant electrons in the W layer. We show that the interlayer electron transfer leads to a chiral Kondo exchange, with consequences including a strong dependence of the Kondo temperature on carrier concentration and anomalous Hall effect due to a topological hybridization gap. The theoretical model exhibits two phases, a small Fermi surface magnet and a large Fermi surface heavy Fermi liquid; at the mean-field level, the transition between them is first order. Our results provide concrete experimental predictions for ongoing experiments on MoTe2/WSe2 bilayer heterostructures and introduces a controlled route to observe a topological selective Mott transition.

| S-EPMC10022889 | biostudies-literature

Electronic Janus lattice and kagome-like bands in coloring-triangular MoTe2 monolayers.

Project description:Polymorphic structures of transition metal dichalcogenides (TMDs) host exotic electronic states, like charge density wave and superconductivity. However, the number of these structures is limited by crystal symmetries, which poses a challenge to achieving tailored lattices and properties both theoretically and experimentally. Here, we report a coloring-triangle (CT) latticed MoTe2 monolayer, termed CT-MoTe2, constructed by controllably introducing uniform and ordered mirror-twin-boundaries into a pristine monolayer via molecular beam epitaxy. Low-temperature scanning tunneling microscopy and spectroscopy (STM/STS) together with theoretical calculations reveal that the monolayer has an electronic Janus lattice, i.e., an energy-dependent atomic-lattice and a Te pseudo-sublattice, and shares the identical geometry with the Mo5Te8 layer. Dirac-like and flat electronic bands inherently existing in the CT lattice are identified by two broad and two prominent peaks in STS spectra, respectively, and verified with density-functional-theory calculations. Two types of intrinsic domain boundaries were observed, one of which maintains the electronic-Janus-lattice feature, implying potential applications as an energy-tunable electron-tunneling barrier in future functional devices.

| S-EPMC10562484 | biostudies-literature

Selective photocatalytic aerobic oxidation of methane into carbon monoxide over Ag/AgCl@SiO2.

Project description:Design of active catalysts for chemical utilization of methane under mild conditions is of great importance, but remains a challenging task. Here, we prepared a Ag/AgCl with SiO2 coating (Ag/AgCl@SiO2) photocatalyst for methane oxidation to carbon monoxide. High carbon monoxide production (2.3 μmol h-1) and high selectivity (73%) were achieved. SiO2 plays a key role in the superior performance by increasing the lifetime of the photogenerated charge carriers. Based on a set of semi in situ infrared spectroscopy, electron paramagnetic resonance, and electronic property characterization studies, it is revealed that CH4 is effectively and selectively oxidized to CO by the in situ formation of singlet 1O2 via the key intermediate of COOH*. Further study showed that the Ag/AgCl@SiO2 catalyst could also drive valuable conversion using real sunlight under ambient conditions. As far we know, this is the first work on the application of SiO2 modified Ag/AgCl in the methane oxidation reaction.

| S-EPMC9020177 | biostudies-literature

Negatively-Doped Single-Walled Carbon Nanotubes Decorated with Carbon Dots for Highly Selective NO2 Detection.

Project description:In this study, we demonstrated a highly selective chemiresistive-type NO2 gas sensor using facilely prepared carbon dot (CD)-decorated single-walled carbon nanotubes (SWCNTs). The CD-decorated SWCNT suspension was characterized using transmission electron microscopy (TEM), X-ray diffraction (XRD), and UV-visible spectroscopy, and then spread onto an SiO2/Si substrate by a simple and cost-effective spray-printing method. Interestingly, the resistance of our sensor increased upon exposure to NO2 gas, which was contrary to findings previously reported for SWCNT-based NO2 gas sensors. This is because SWCNTs are strongly doped by the electron-rich CDs to change the polarity from p-type to n-type. In addition, the CDs to SWCNTs ratio in the active suspension was critical in determining the response values of gas sensors; here, the 2:1 device showed the highest value of 42.0% in a sensing test using 4.5 ppm NO2 gas. Furthermore, the sensor selectively responded to NO2 gas (response ~15%), and to other gases very faintly (NO, response ~1%) or not at all (CO, C6H6, and C7H8). We propose a reasonable mechanism of the CD-decorated SWCNT-based sensor for NO2 sensing, and expect that our results can be combined with those of other researches to improve various device performances, as well as for NO2 sensor applications.

| S-EPMC7764981 | biostudies-literature

Cobalt monoxide-doped porous graphitic carbon microspheres for supercapacitor application.

Project description:A novel design and facile synthesis process for carbon based hybrid materials, i.e., cobalt monoxide (CoO)-doped graphitic porous carbon microspheres (Co-GPCMs), have been developed. With the synthesis strategy, the mixture of cobalt gluconate, α-cyclodextrin and poly (ethylene oxide)₁₀₆-poly (propylene oxide)₇₀-poly (ethylene oxide)₁₀₆ is treated hydrothermally, followed by pyrolysis in argon. The resultant Co-GPCMs exhibits a porous carbon matrix with localized graphitic structure while CoO nanodots are embedded in the carbon frame. Thus, the Co-GPCMs effectively combine the electric double-layer capacitance and pseudo-capacitance when used as the electrode in supercapacitor, which lead to a higher operation voltage (1.6 V) and give rise to a significantly higher energy density. This study provides a new research strategy for electrode materials in high energy density supercapacitors.

| S-EPMC3795356 | biostudies-literature

Waste wool derived nitrogen-doped hierarchical porous carbon for selective CO2 capture.

Project description:The goal of this research is to develop a low-cost porous carbon adsorbent for selective CO2 capture. To obtain advanced adsorbents, it is critical to understand the synergetic effect of textural characteristics and surface functionality of the adsorbents for CO2 capture performance. Herein, we report a sustainable and scalable bio-inspired fabrication of nitrogen-doped hierarchical porous carbon by employing KOH chemical activation of waste wool. The optimal sample possesses a large surface area and a hierarchical porous structure, and exhibits good CO2 adsorption capacities of 2.78 mmol g-1 and 3.72 mmol g-1 at 25 °C and 0 °C, respectively, under 1 bar. Additionally, this sample also displays a moderate CO2/N2 selectivity, an appropriate CO2 isosteric heat of adsorption and a stable cyclic ability. These multiple advantages combined with the low-cost of the raw material demonstrate that this sample is an excellent candidate as an adsorbent for CO2 capture.

| S-EPMC9080743 | biostudies-literature

Toward Highly Selective Electrochemical CO2 Reduction using Metal-Free Heteroatom-Doped Carbon.

Project description:There are growing interests in metal-free heteroatom-doped carbons for electrochemical CO2 reduction. Previous studies extensively focus on the effect of N-doping, and their products severely suffer from low current density (mostly <2 mA cm-2) and limited selectivity (<90%). Here, it is reported that heteroatom codoping offers a promising solution to the above challenge. As a proof of concept, N,P-codoped mesoporous carbon is prepared by annealing phytic-acid-functionalized ZIF-8 in NH3. In CO2-saturated 0.5 m NaHCO3, the catalyst enables CO2 reduction to CO with great selectivity close to 100% and large CO partial current density (≈8 mA cm-2), which are, to the best of knowledge, superior to all other relevant competitors. Theoretical simulations show that the improved activity and selectivity are stemmed from the enhanced surface adsorption of *COOH and *CO intermediates as a result of the synergy of N and P codoping.

| S-EPMC7435239 | biostudies-literature

Carbon monoxide--physiology, detection and controlled release.

Project description:Carbon monoxide (CO) is increasingly recognized as a cell-signalling molecule akin to nitric oxide (NO). CO has attracted particular attention as a potential therapeutic agent because of its reported anti-hypertensive, anti-inflammatory and cell-protective effects. We discuss recent progress in identifying new effector systems and elucidating the mechanisms of action of CO on, e.g., ion channels, as well as the design of novel methods to monitor CO in cellular environments. We also report on recent developments in the area of CO-releasing molecules (CORMs) and materials for controlled CO application. Novel triggers for CO release, metal carbonyls and degradation mechanisms of CORMs are highlighted. In addition, potential formulations of CORMs for targeted CO release are discussed.

| S-EPMC4072318 | biostudies-literature

Imine-Linked Polymer Based Nitrogen-Doped Porous Activated Carbon for Efficient and Selective CO2 Capture.

Project description:The preparation of nitrogen-doped activated carbon (NACs) has received significant attention because of their applications in CO2 capture and sequestration (CCS) owing to abundant nitrogen atoms on their surface and controllable pore structures by carefully controlled carbonization. We report high-surface-area porous N-doped activated carbons (NAC) by using soft-template-assisted self-assembly followed by thermal decomposition and KOH activation. The activation process was carried out under different temperature conditions (600-800 °C) using polyimine as precursor. The NAC-800 was found to have a high specific surface area (1900 m2 g-1), a desirable micropore size below 1 nm and, more importantly, a large micropore volume (0.98 cm3 g-1). NAC-800 also exhibits a significant capacity of CO2 capture i.e., over 6. 25 and 4.87 mmol g-1 at 273 K and 298 K respectively at 1.13 bar, which is one of among the highest values reported for porous carbons so far. Moreover, NAC also shows an excellent separation selectivity for CO2 over N2.

| S-EPMC5153834 | biostudies-literature