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Engineering nanomaterials at single-atomic sites could enable unprecedented catalytic properties for broad applications, yet it remains challenging to do so on the surface of multimetallic nanocrystals. Herein, we present the multifactorial engineering (size, shape, phase, and composition) of the fully ordered PtBi nanoplates at atomic level, achieving a unique catalyst surface where the face-centered cubic (fcc) Pt edges are modified by the isolated Pd atoms and BiO adatoms. This Pd/Pt-BiO electrocatalyst exhibits an ultrahigh mass activity of 16.01 A mg toward ethanol oxidation in alkaline electrolyte and enables a direct ethanol fuel cell of peak power density of 56.7 mW cm. The surrounding BiO adatoms are critical for mitigating CO-poisoning on the Pt surface, and the Pd/Pt single-atom alloy further facilitates the electrooxidation of CHCHOH. This work offers new insights into the rational design and construction of sophisticated catalyst surface at single-atomic sites for highly efficient electrocatalysis.
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http://dx.doi.org/10.1007/s40820-025-01678-4 | DOI Listing |
Chemphyschem
September 2025
Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, 453007, China.
Electron spin at metal sites plays a critical role in surface/interface reaction activity. Herein, a series of metal (Fe, Co, Ni, Pd, Pt, Cu, Ag, and Au) single-atom catalysts as activity center and CO as a probe molecule, to systematically investigate the role of spin electrons by calculations of structure stability, orbital energy level, and electron transfer. Fe and Pt single-atom structures are most stable in low-spin states, while others are stable in high-spin states.
View Article and Find Full Text PDFAdv Mater
June 2025
College of Energy Materials and Chemistry, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot, 010070, China.
Constructing advanced semiconductor nanoreactors is an effective route to boost the efficient photocatalytic conversion of biomasses to high-value-added products. Herein, single-atom anchored flower-like mesoporous TiO nanoreactors with tunable anatase-rutile crystalline phases are prepared via a micelle-interface confined co-assembly strategy (Ru/A&R-TNs). This approach not only facilitates the introduction of various monatomic/diatomic (e.
View Article and Find Full Text PDFNanoscale
January 2025
Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, USA.
Single atom alloys (SAAs) have gained tremendous attention as promising materials with unique physicochemical properties, particularly in catalysis. The stability of SAAs relies on the formation of a single active dopant on the surface of a metal host, quantified by the surface segregation and aggregation energy. Previous studies have investigated the surface segregation of non-ligated and ligated SAAs to reveal the driving forces underlying such phenomena.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Chemistry, Federal University of Paraná, Curitiba, 81531-980, Brazil.
Gold-based (Au) nanostructures are efficient catalysts for CO oxidation, hydrogen evolution (HER), and oxygen evolution (OER) reactions, but stabilizing them on graphene (Gr) is challenging due to weak affinity from delocalized [Formula: see text] carbon orbitals. This study investigates forming metal alloys to enhance stability and catalytic performance of Au-based nanocatalysts. Using ab initio density functional theory, we characterize [Formula: see text] sub-nanoclusters (M = Ni, Pd, Pt, Cu, and Ag) with atomicities [Formula: see text], both in gas-phase and supported on Gr.
View Article and Find Full Text PDFJ Colloid Interface Sci
February 2025
National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Pathum Thani 12120, Thailand; Research Network NANOTEC - SUT on Advanced Nanomaterials and Characterization, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand. Electronic address
Producing value-added chemicals and fuels from methane (CH) under mild conditions efficiently utilizes this cheap and abundant feedstock, promoting economic growth, energy security, and environmental sustainability. However, the first CH bond activation is a significant challenge and requires high energy. Efficient catalysts have been sought for utilizing CH at low temperatures including emerging single-atom catalysts (SACs).
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