The urgent demand for efficient CO2 reduction technologies has driven enormous studies into the enhancement of advanced catalysts. Here, we investigate the electronic properties and CO2 adsorption properties of CumAgn bimetallic clusters, particularl...
The reverse water–gas shift (RWGS) reaction serves as a highly flexible and critical pathway for converting CO2 into CO, with Pt-based catalysts having been widely investigated. Here, a series of platinum-rare earth (RE) subnanometric bimetalli...
The combined steam/dry reforming of clean biogas (CH4/CO2 = 50/50 v/v) represents an innovative way to produce synthesis gas (CO + H2) using renewable feeds, avoiding to deplete the fossil resources and increase CO2 pollution. The reaction was carrie...
A decanuclear silver chalcogenide cluster, [Ag10(Se){Se2P(OiPr)2}8] (2) was isolated from a hydride-encapsulated silver diisopropyl diselenophosphates, [Ag7(H){Se2P(OiPr)2}6], under thermal condition. The time-dependent NMR spectroscopy showed that 2...
A new series of alkali-based complexes, AM@GenAu (AM = Li, Na, and K), have been theoretically designed and investigated by means of the density functional theory calculations. The geometric structures and electronic properties of the species are sys...
Graphitic carbon nitride is recognized as a very promising support structure to anchor single atoms and small, sub-nanometric metal clusters, with vast applications in catalysis. In the current manuscript, we aim to study the geometry and electronic...
Electrochemical CO2 reduction reactions can lead to high value-added chemical and materials production while helping decrease anthropogenic CO2 emissions. Copper metal clusters can reduce CO2 to more than thirty different hydrocarbons and oxygenates...
To obtain a nanocrystalline SnO2 matrix and mono- and bimetallic nanocomposites SnO2/Pd, SnO2/Pt, and SnO2/PtPd, a flame spray pyrolysis with subsequent impregnation was used. The materials were characterized using X-ray diffraction (XRD), a single-p...
The addition of Pt (0.1 wt%Pt) to the 2 wt%Ag/Al2O3-WOx catalyst improved the C3H8– Selective Catalytic Reduction (SCR) of NO assisted by H2 and widened the range of the operation window. During H2–C3H8–SCR of NO, the bimetallic Pt&...
Highly-efficient catalysts for the oxygen reduction reaction (ORR) have been extensively investigated for the development of proton exchange membrane fuel cells (PEMFCs). The state-of-the-art Pt/C catalysts suffer from high price, limited accessibili...
The development of highly selective and sensitive gas sensors is essential for detecting toxic pollutants, such as carbon monoxide (CO), which pose severe health and environmental risks. In this work, the adsorption of CO molecules on Ni6−xCux...
The development of sustainable cross-coupling methodologies that drastically reduce reliance on precious metals represents a central challenge in modern synthetic chemistry. Here we report a synergistic Pd/Fe bimetallic catalytic system for Sonogashi...
This study analyzed the initial adsorption and activation of CO2 on bimetallic CunSc nanoclusters, with n = 3–7, using DFT calculations in ORCA with the r2SCAN-3c method. A total of 20 bare clusters and their corresponding CunSc–CO2 compl...
This study presents a comprehensive thermodynamic evaluation of several CO2 conversion pathways, both non-catalytic and catalyst-assisted, using density functional theory (DFT) calculations in Gaussian 16 (B3LYP/6-311++G(d,p)). In the non-catalyzed s...
Here, by utilizing crystal structure analysis through the particle swarm optimization (CALYPSO) structural searching method with density functional theory (DFT), we investigate the systemic structures and electronic properties of Ca2Mgn (n = 1–...
The development of inexpensive and highly robust nanocatalysts (NCs) to boost electrochemical hydrogen evolution reaction (HER) strengthens the implementation of several emerging sustainable-energy technologies. Herein, we proposed a novel nano-archi...
Studies of metal nanocluster (M-NCs)-based sensors for specific analyte detection have achieved significant progress in recent decades. Ultra-small-size (<2 nm) M-NCs consist of several to a few hundred metal atoms and exhibit extraordinary physic...
Graphene with defects is a vital support material since it improves the catalytic activity and stability of nanoparticles. Here, a density functional theory study was conducted to investigate the stability, energy, and reactivity properties of NinPdn...
Four cyanide-bridged FeIII–MnIII complexes {[Fe(qxcq)(CN)3][Mn(L1)(H2O)]}[Mn(L1)(H2O)(CH3OH)](ClO4)·1.5MeOH·0.5H2O (L1 = N,N′-bis(3-methoxy-5-bromosalicylideneiminate) (2), {[Fe(qxcq)(CN)3][Mn(L2)]}2·0.5H2O (L2 = N,N&...
Bimetallic nanoclusters have attracted great interest due to their ability to enhance the catalytic properties of nanoclusters through synergetic effects that emerge from the combination of the metal nanocluster with different transition metal (TM) s...
Long-term changes in species of copper-silver bimetallic systems on natural clinoptilolite obtained by ion exchange of Cu2+ and Ag+ and then reduced at different temperatures were studied. Even after storage under ambient conditions, XRD and UV-Vis d...
Herein, we report on the synthesis of Ni and Zn clusters on the surface of TiO2 as well as their bimetallic NiZn analogs. The materials were prepared by incipient wet impregnation of colloidal TiO2 followed by microwave (MW) irradiation to graft the...
The ability to fabricate bimetallic clusters with atomic precision offers promising prospects for elucidating the correlations between their structures and properties. Nevertheless, achieving precise control at the atomic level in the production of c...
X-ray absorption fine structure (XAFS) spectroscopy, temperature-programmed reduction (TPR), and temperature-programmed hydride decomposition (TPHD) were employed to elucidate the structures of a series of PdRe/Al2O3 bimetallic catalysts for the sele...
Mono- and bimetallic systems of Ag, Fe, and Ag–Fe exchanged in sodium mordenite zeolite were studied in the reaction of NO reduction. The transition metal cations Ag and Fe were introduced by ion exchange method both at room temperature and 60...
Bimetallic nanostructured core-shell structures are commonly used as catalysts in a wide variety of reactions. We surmised that the addition of an additional metal would potentially allow catalytic tailoring with the possibility of an increase in act...
In this paper, we explore the catalytic CO2 reduction process on 13-atom bimetallic nanoclusters with icosahedron geometry. As copper and nickel atoms may be positioned in different locations and either separated into groups or uniformly distributed,...
Au and Ag were deposited on TiO2 modified with Ce, La, Fe or Mg in order to obtain bimetallic catalysts to be used for liquid-phase oxidation of 1-octanol. The effects of the deposition order of gold and silver, and the nature of the support modifyin...
Cellulose grains were carbonized and applied as catalyst supports for nickel- and magnetite-promoted bimetallic palladium- and platinum-containing catalysts. The bimetallic spherical aggregates of Pd and Pt particles were created to enhance the syner...
The electrochemical co-conversion of CO2 and H2O into valuable products is a promising approach toward carbon-neutral energy systems. Alloy exsolution from perovskite lattices has emerged as an effective strategy to engineer catalytic interfaces, yet...
Ir and IrSn catalysts with different Sn contents (0.5, 0.7 and 0.9 wt%) were prepared using MgAl2O4 supports synthesized using two different techniques (the citrate–nitrate combustion and coprecipitation methods). Both supports, with a spinel s...
Alumina-supported bimetallic AuRh catalysts, as well as monometallic reference catalysts, were examined with regard to their structural and catalytic properties in the reduction of NO by CO. Depending on the molar ratio of Au:Rh, the nanoparticles pr...
A new Ag/Cu bimetallic cluster [Ag10Cu6(bdppthi)2(C≡CPh)12(EtOH)2](ClO4)4 (1, bdppthi = N,N′-bis(diphenylphosphanylmethyl)-tetrahydroimidazole) exhibited strong phosphorescent (PL) emission at 644 nm upon excitation at 400 nm. Removal of...
Bimetallic Au/Pd nanoscale-thick films were sputter-deposited at room temperature on a silicon carbide (SiC) surface, and the surface-morphology evolution of the films versus thickness was studied with scanning electron microscopy. This study allowed...
Noble metals are widely recognized for their ability to catalyze the electro-oxidation of organic compounds, with smaller particle sizes significantly enhancing electrocatalytic activity. In this study, catalytic electrodes decorated with atomic-leve...
The coalescence of Cu309 and Ag309 clusters and the subsequent thermal evolution of the resulting Cu-Ag alloy clusters are systematically investigated via molecular dynamics simulations. The effects of initial coalescence distance and contact orienta...
A novel preparation method was developed for the preparation of gold/iron oxide supported catalysts using the bimetallic carbonyl cluster salts [NEt4]4[Au4Fe4(CO)16] and [NEt4][AuFe4(CO)16] as precursors of highly dispersed nanoparticles over differe...
To address the critical challenges of sluggish C-C coupling kinetics and the propensity for over hydrogenation to ethane (C2H6) in the photocatalytic CO2 reduction to ethylene (C2H4), this study designed a synergistic bimetallic Pt/Co cluster catalys...
Electrocatalytic nitrogen reduction reaction (NRR) can realize the green production of ammonia while developing electrocatalysts with high selectivity and ability is still an ongoing challenge. Two-dimensional (2D) graphitic carbon nitride (CN) frame...
A new double-open-cubane core Cd(II)-O-Cu(II) bimetallic ligand mixed cluster of type [Cl2Cu4Cd2(NNO)6(NN)2(NO3)2].CH3CN was made available in EtOH/CH3CN solution. The 1-hydroxymethyl-3,5-dimethylpyrazole (NNOH) and 3,5-dimethylpyrazole (NNH) act as...
Diabetes is a foremost health issue that results in ~4 million deaths every year and ~170 million people suffering globally. Though there is no treatment for diabetes yet, the blood glucose level of diabetic patients should be checked closely to avoi...
Bioethanol to butadiene is currently the most promising non-oil-based butadiene production route. Here, copper is introduced into the conventional bimetallic zeolite catalyst to partially substitute for zinc; the isolated tetracoordinated Cu(II) spec...
The electronic stability and global reactivity of CuxScγ (x + y = 4) bimetallic nanoclusters were investigated within the framework of rational design of functional materials and active catalytic phases. M06-2X/def2-TZVP DFT was used for geomet...
Vibrational spectroscopy and in particular, resonance Raman (RR) spectroscopy, can provide molecular details on metalloproteins containing multiple cofactors, which are often challenging for other spectroscopies. Due to distinct spectroscopic fingerp...
The design of iron clusters featuring a bimetallic core and several protonation sites in the second coordination sphere of the metal centers is important for modeling the activity of polymetallic active sites such as the H-cluster of [FeFe]-hydrogena...
Five novel air- and moisture-stable polymetallic Ti and Zr amino acid-derived amine bis(phenolate) (ABP) complexes were synthesised and fully characterised, including X-ray crystallographic studies. The reaction of the ABP proligands with Ti or Zr al...
The orderings of atoms in bimetallic 1.6–2.1 nm-large CuCo nanoparticles, important as catalytic and magnetic materials, were studied using a combination of DFT calculations with a topological approach. The structure and magnetism of Cu50Co151,...
Accurate characterization of Pt-Pd alloy nanoparticle clusters (NCs) is crucial for understanding their synthesis using Gas-Diffusion Electrocrystallization (GDEx). In this study, we propose a comprehensive approach that integrates conventional sizin...
Improvement of sensitivity, lower detection limits, stability and reproducibility of semiconductor metal oxide gas sensor characteristics are required for their application in the fields of ecological monitoring, industrial safety, public security, e...
The electrochemical reduction of CO2 to methanol is a promising strategy, which currently suffers from the poor catalytic activity, selectivity, and stability of the electrode. Here, we report a simple one-pot hydrothermal strategy to fabricate Mo&nd...
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