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Collectivity effect in cluster catalysis under operational conditions

Subnanometer metal clusters are limited by structural heterogeneity and dynamics under reaction conditions. Here, AI-driven multiscale modeling reveals collective activity of diverse Cu/CeO₂ sites via coordination-adsorption balance.

Jia-Lan Chen
Xue-Chun Jiang
Wei-Xue Li
ResearchOpen Access15 Oct 2025
Nature Communications

Volume: 16, P: 1-10
Surpassing the single-atom catalytic activity limit through paired Pt-O-Pt ensemble built from isolated Pt₁ atoms

Single-atom metal catalysts offer maximized material efficiency, but there is large room to improve the intrinsic activity per metal atom for many reactions. Here, the authors demonstrate that the solution for CO oxidation is to tackle the issue of lacking neighboring Pt atoms in the single-atom Pt1/CeO2 system.

Hui Wang
Jin-Xun Liu
Ming Yang
ResearchOpen Access23 Aug 2019
Nature Communications

Volume: 10, P: 1-12
Atomically intimate assembly of dual metal–oxide interfaces for tandem conversion of syngas to ethanol

Atomically intimate assembly of FeO_x-Rh-ZrO₂ dual interfaces by selectively architecting highly dispersed FeO_x on ultrafine raft-like Rh clusters supported on tetragonal zirconia enables highly efficient tandem conversion of syngas to ethanol.

Shang Li
Li Feng
Junling Lu
Research25 Nov 2024
Nature Nanotechnology

Volume: 20, P: 255-264
Direct conversion of CO and H₂O to hydrocarbons at atmospheric pressure using a TiO₂₋_x/Ni photothermal catalyst

Light-driven synthesis of hydrocarbons could be an attractive route to fuels, but approaches towards this have typically needed H₂ as a reactant. Here the authors report that a TiO₂₋_x/Ni catalyst can produce hydrocarbons from CO and water at atmospheric pressure in a light-driven process.

Xuetao Qin
Ming Xu
Ding Ma
Research05 Jan 2024
Nature Energy

Volume: 9, P: 154-162
Boosting CO hydrogenation towards C₂₊ hydrocarbons over interfacial TiO_2−x/Ni catalysts

Considerable attention has been drawn to tune the geometric and electronic structure of interfacial catalysts via modulating strong metal-support interactions (SMSI). Here the authors report the remarkable catalytic performance of CO hydrogenation over an interfacial TiO_2−x/Ni catalyst by means of SMSI.

Ming Xu
Xuetao Qin
Ding Ma
ResearchOpen Access07 Nov 2022
Nature Communications

Volume: 13, P: 1-11
Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics

A rapid screening approach is developed to access the stability of single-atom catalysts based on the binding energy of the metal atom to the support and the cohesive energy of the bulk metal.

Ya-Qiong Su
Long Zhang
Emiel J. M. Hensen
ResearchOpen Access24 Sept 2020
npj Computational Materials

Volume: 6, P: 1-7

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Collectivity effect in cluster catalysis under operational conditions

Surpassing the single-atom catalytic activity limit through paired Pt-O-Pt ensemble built from isolated Pt1 atoms

Atomically intimate assembly of dual metal–oxide interfaces for tandem conversion of syngas to ethanol

Direct conversion of CO and H2O to hydrocarbons at atmospheric pressure using a TiO2−x/Ni photothermal catalyst

Boosting CO hydrogenation towards C2+ hydrocarbons over interfacial TiO2−x/Ni catalysts

Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics

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Surpassing the single-atom catalytic activity limit through paired Pt-O-Pt ensemble built from isolated Pt₁ atoms

Direct conversion of CO and H₂O to hydrocarbons at atmospheric pressure using a TiO₂₋_x/Ni photothermal catalyst

Boosting CO hydrogenation towards C₂₊ hydrocarbons over interfacial TiO_2−x/Ni catalysts