Pseudotime uncovers restructuring dynamics and mitigators of metal catalyst deactivation

Structural reconstruction is a major cause of heterogeneous catalyst deactivation, yet elucidating the restructuring mechanism remains difficult due to underresolved dynamics. Here, by introducing pseudotime, we recover dynamics and identify the key determinant of nanoparticle sintering from ex situ electron microscopy alone, beyond the general view that postmortem observations provide only end-state structures. Pseudotemporal ordering of SiN x -supported gold across asynchronous aging states reveals that interparticle distance controls stability against migration and coalescence, with a well-defined threshold quantified. In situ gas cell tracking validated this threshold with only a 2-angstrom deviation and confirmed markedly suppressed particle mobility beyond it, allowing sintering prediction with 92% accuracy, thereby establishing proximity as a quantitative handle for improving sinter resistance. The proximity effect resolved here illustrates pseudotime as a new lens for understanding time-resolved phenomena in catalysis, opening the possibility of probing the restructuring dynamics beyond in situ or operando characterizations.

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Publication Details

Journal
Science Advances
Published
2026-09-16
DOI
https://doi.org/10.1126/sciadv.aej0852
Primary Topic
Advanced Electron Microscopy Techniques and Applications
Type
article
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article

Pseudotime uncovers restructuring dynamics and mitigators of metal catalyst deactivation

Fengqi You, Wenhao Yuan, Zhilong Wang
Science Advances
Advanced Electron Microscopy Techniques and Applications
article

Pseudotime uncovers restructuring dynamics and mitigators of metal catalyst deactivation

Fengqi You, Wenhao Yuan, Zhilong Wang
article en

Abstract

Structural reconstruction is a major cause of heterogeneous catalyst deactivation, yet elucidating the restructuring mechanism remains difficult due to underresolved dynamics. Here, by introducing pseudotime, we recover dynamics and identify the key determinant of nanoparticle sintering from ex situ electron microscopy alone, beyond the general view that postmortem observations provide only end-state structures. Pseudotemporal ordering of SiN x -supported gold across asynchronous aging states reveals that interparticle distance controls stability against migration and coalescence, with a well-defined threshold quantified. In situ gas cell tracking validated this threshold with only a 2-angstrom deviation and confirmed markedly suppressed particle mobility beyond it, allowing sintering prediction with 92% accuracy, thereby establishing proximity as a quantitative handle for improving sinter resistance. The proximity effect resolved here illustrates pseudotime as a new lens for understanding time-resolved phenomena in catalysis, opening the possibility of probing the restructuring dynamics beyond in situ or operando characterizations.

Science AdvancesVol. 12(38)
Cornell University (US)
Reduced inequalities
Openalex Percentile: Top 13%
Advanced Electron Microscopy Techniques and Applications
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Pseudotime uncovers restructuring dynamics and mitigators of metal catalyst deactivation — Fengqi You, Wenhao Yuan, et al. · Science Advances (2026) | TGRS Research Map | TGRS