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Although developing artificial enzymes has made great progress, there is still a gap between artificial enzymes and natural enzymes in catalytic performance. Designing and constructing efficient artificial biocatalysts is extremely…
Electrochemical CO2 reduction (CO2R) offers a promising approach to decarbonize chemical manufacturing through production of carbon-neutral fuels. However, insufficient performance and instability of membrane electrode assembly (MEA)…
Semiconductor nanocrystals (NCs) are the building blocks for the future opto-electronic devices, and other energy-harvesting applications. Although the energy demand has been increasing, energy sources are diminishing. Hydrogen, green…
The discovery of new catalysts that are efficient, sustainable, and low-cost is a major research endeavor for many industrial chemical processes. This requires an understanding and determination of the catalytic origins for the given…
Alloy nanocatalysts have found broad applications ranging from fuel cells to catalytic converters and hydrogenation reactions. Despite extensive studies, identifying the active sites of nanocatalysts remains a major challenge due to the…
Amorphous oxide semiconductors (AOSs) have recently gained attention as a promising channel material of back-end-of-line (BEOL)-compatible transistors for monolithic three-dimensional (3D) integrations. However, the degradation in device…
The current study illustrates the successful synthesis of Ce$_{1.0}$Mn$_{0.9}$Co$_{0.1}$ nanoparticles, characterized through XRD, EPR, magnetization curves, and TEM/HRTEM/EDX analyses. These nanoparticles were then loaded into the carbon…
This study reports the preparation and characterization of a new family of electrocatalysts (ECs) for the oxygen reduction reaction (ORR) exhibiting a 'core-shell' morphology. The 'core' consists of graphene sheets, which are covered by a…
Five bimetallic electrocatalysts (ECs) including a carbon nitride (CN) support are synthesised through the pyrolysis of a solid precursor obtained through sol-gel and gel-plastic processes. The resulting ECs are characterised through…
Developing efficient electrocatalysts for CO$_2$ reduction into value-added products is crucial for the green economy. Inspired by the recent synthesis of Biphenylene (BPH), we have systematically investigated pristine, defective, and…
Using the density functional tight binding method (DFTB) and the GFN1-xTB (Geometries, Frequencies, and Noncovalent interactions Tight Binding) Hamiltonian, we have investigated the structural, electronic and magnetic properties of vacancy…
Unravelling the origins of single-atom catalyst reactivity is a central challenge in heterogeneous catalysis research. A key question is whether the activity arises solely from atomic isolation or from distinct structural and electronic…
Redox and catalytic performance in total methane oxidation of a nonostructured ceria-terbia catalyst supported on magnesia is presented and compared to that of a pure ceria catalyst supported on MgO. The investigated material, Ce0.5Tb0.5Ox…
Solid solubility (SS) is one of the most important features of alloys, which is usually difficult to be largely tuned in the entire alloy concentrations by external approaches. Some alloys that were supposed to have promising physical…
This work describes the ethanol oxidation reaction (EOR) in alkaline medium using low-palladium nanoparticle electrocatalysts modified by Fe3O4 nano-octahedra and SnO2 nanorods. Operation studies on an alkaline direct ethanol fuel cell…
In order to estimate the reactivity of a large number of potentially complex heterogeneous catalysts while searching for novel and more efficient materials, physical as well as data-centric models have been developed for a faster evaluation…
Manganese oxides have received much attention over the years among the wide range of electrocatalysts for the oxygen evolution reaction (OER) due to their low toxicity, high abundance and rich redox chemistry. While many previous studies…
Boron-doped graphene was reported to be the best non-metal doped graphene electrocatalyst for the oxygen reduction reaction (ORR) working at an onset potential of 0.035 V [JACS 136 (2014) 4394]. In the present DFT study, intermediates and…
Identifying and controlling active sites in electrocatalysis remains a grand challenge due to restructuring of catalysts in the complex chemical environments during operation. Inactive precatalysts can transform into active catalysts under…
The influence of carbon concentration on the superconductivity (SC) in MgC$_{x}$Ni$_3$ has been investigated by measuring the low temperature specific heat combined with first principles electronic structure calculation. It is found that…