Title : In-situ exploitation of sulfur from petroleum coke in Ni@SC synthesis to Boost the De-/Hydrogenation performance of MgH2: Experimental and DFT study

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Affiliation of Author(s):环境科学与工程学院

Title of Paper:In-situ exploitation of sulfur from petroleum coke in Ni@SC synthesis to Boost the De-/Hydrogenation performance of MgH2: Experimental and DFT study

Journal:Fuel

Key Words:High-sulfur petroleum coke; Ni@SC; Catalyst; Hydrogen storage; MgH2; DFT

Abstract:Catalytic improvement of the de-/hydrogenation properties of MgH2 by carbon materials loaded with metal sulfides has proved to be an effective strategy, but it suffers from additional sulfur sources, higher cost, and complexity. High-sulfur petroleum coke (HSPC), with a sulfur content exceeding 7 wt%, remains largely underutilized unless desulfurized. This study introduces an in-situ Ni@SC synthesis derived from HSPC without additional sulfur sources, which offers significant advantages in catalyzing MgH2, including cost-effectiveness and notable catalytic activity. Specifically, the MgH2-Ni@SC composite releases 5.18 wt% H2 at 275 °C within 60 min. It can uptake 1.84 wt% H2 within 60 min at 50 °C and absorb 4.54 wt% H2 in only 30 min at 150 °C. Moreover, the activation energies for de-/hydrogenation have been decreased to 92.12 and 25.17 kJ·mol−1, representing substantial progress among similar metal sulfide and Ni-based catalytic systems. These improvements result from the formation of Ni3S2, NiS2, and Ni multicomponents, with sulfur playing a non-negligible role in de-/hydrogenation. The result leverages the synergistic advantages of sulfur and carbon resources in HSPC, effectively addressing the cost and complexity issues associated with conventional catalyst synthesis of MgH2.

All the Authors:Yang Zhang,Xinan Zhang,Yiming Wang,Haoran Wu,Chunyan Xu,Chen Huang,Zuoli He

First Author:Yulin Huang

Indexed by:Journal paper

Correspondence Author:Jingcai Chang

Document Code:1897579815069478914

Discipline:Engineering

First-Level Discipline:Environmental Science and Engineering

Volume:389

Page Number:134568

Number of Words:7

Translation or Not:no

Date of Publication:2025-06-01

Included Journals:SCI