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Record W4397030606 · doi:10.1021/acscatal.4c00742

Phosphorization-Induced “Fence Effect” on the Active Hydrogen Species Migration Enables Tunable CO<sub>2</sub> Hydrogenation Selectivity

2024· article· en· W4397030606 on OpenAlex
Chunpeng Wu, Jiahui Shen, Xingda An, Zhiyi Wu, Shuairen Qian, Shumin Zhang, Zhiqiang Wang, Bin Song, Yi Cheng, Binhang Yan, Tsun‐Kong Sham, Xiaohong Zhang, Chaoran Li, Kai Feng, Le He

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueACS Catalysis · 2024
Typearticle
Languageen
FieldChemical Engineering
TopicCatalysts for Methane Reforming
Canadian institutionsWestern University
FundersNational Postdoctoral Program for Innovative TalentsHigher Education Discipline Innovation ProjectCollaborative Innovation Center of Suzhou Nano Science and TechnologySoochow UniversityChina Postdoctoral Science FoundationNational Natural Science Foundation of China
KeywordsCatalysisSelectivityMethanationChemistryFence (mathematics)HydrogenAdsorptionChemical engineeringPhotochemistryCombinatorial chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Incorporating phosphorus (P) into the active metals of a catalyst is an effective strategy to enhance the catalytic performance. However, the mechanisms underlying the influence of the introduced phosphorus species on catalytic performance remain largely unknown. Herein, we observe a pronounced shift in the product selectivity of the CO 2 hydrogenation from CH 4 to CO upon introducing P into the Ru/SiO 2 catalysts. This alteration in product selectivity is attributed to the role of introduced P as a “fence” hindering the migration of active H species. The adsorbed CO, a key intermediate species for CO 2 methanation, is preferentially desorbed before H species cross the “fence” for further hydrogenation, thereby weakening the H 2 -assisted CO activation process and consequently inhibiting CH 4 generation. Our findings provide in-depth insights into the origin of phosphorization-induced modulation of product selectivity in CO 2 hydrogenation. Furthermore, the concept of phosphorization-induced “fence effect” opens a promising avenue for catalyst design in various industrial hydrogenation processes.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.015
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.002
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.010
GPT teacher head0.225
Teacher spread0.214 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it