Tailoring the catalytic performance of MXenes in propane dehydrogenation by layer substitution from microkinetic simulations.

Aqsa Abid, XiaoYing Sun, Yuqing Tang, Yi Xiao, Bo Li

Abstract read

In one paragraph

Article in iScience, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed

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1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

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2 · The registry

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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

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0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

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PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Aqsa AbidShenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, ShenYang 110016, China.

XiaoYing SunInstitute of Catalysis for Energy and Environment, College of Chemistry and Chemical Engineering, Shenyang Normal University, Shenyang 110034, China.

Yuqing TangInstitute of Catalysis for Energy and Environment, College of Chemistry and Chemical Engineering, Shenyang Normal University, Shenyang 110034, China.

Yi XiaoInstitute of Catalysis for Energy and Environment, College of Chemistry and Chemical Engineering, Shenyang Normal University, Shenyang 110034, China.

Bo LiInstitute of Catalysis for Energy and Environment, College of Chemistry and Chemical Engineering, Shenyang Normal University, Shenyang 110034, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The reactivity and catalytic performance of MXenes in propane dehydrogenation (PDH) are highly dependent on their composition. This study explores modifying MXenes by substituting their X-layers with carbon, nitrogen, or a mix of both. Density functional theory (DFT) and microkinetic simulations show that these substitutions substantially alter the catalytic mechanism. Nitrogen substitution shifts the

Indexed as

Chemical bondingChemical processingComputational materials scienceSimulation in materials science

Identifiers

PMID41035693

DOI10.1016/j.isci.2025.113480

PMCPMC12483649

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