A Review of Propane Dehydrogenation Research Based on Density Functional Theory - Part II

Authors

Keywords:

REACTION MECHANISM, ANTI-COKING, SELECTIVITY CONTROL, MICROKINETIC MODELING, MOLECULAR DYNAMICS, MACHINE LEARNING

Abstract

This part focuses on DFT studies of non-oxidative, oxidative, and CO2-assisted dehydrogenation mechanisms, selectivity control, anti-coking behavior, active-site identification, and multiscale modeling approaches.

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Published

2026-09-01

Issue

Vol. 1 No. 2 (2026): Advanced Materials Research and Technology

Section

Articles

How to Cite

A Review of Propane Dehydrogenation Research Based on Density Functional Theory - Part II. (2026). Advanced Materials Research and Technology, 1(2). http://techsyncpress.com/index.php/AMRT/article/view/4