杂原子
石墨烯
催化作用
密度泛函理论
电化学
碳纤维
材料科学
电催化剂
分解水
兴奋剂
化学工程
化学
纳米技术
光化学
无机化学
计算化学
物理化学
有机化学
电极
光电子学
复合数
光催化
戒指(化学)
工程类
复合材料
作者
Bin Jiang,Yuchen Tian,Yang An,Rong Liu,Firdoz Shaik
标识
DOI:10.1016/j.ijhydene.2023.06.092
摘要
Carbon-based materials are considered cost-effective electrocatalysts for hydrogen evolution reaction (HER). Here we design the heteroatom-doped carbon quantum dots (CQDs) loaded on vertical graphene (VG) as HER catalyst by density functional theory (DFT). And heteroatoms (B/N/P/S)-doped CQDs is synthesized with vinegar residue as the carbon source, which are integrated on VG as HER electrocatalysts. The results of electrochemical measurements are consistent with the DFT calculations. The heteroatom of CQDs in heteroatom-doped CQDs loaded on VG (CQDs-VG) is the leading active site in the HER process, which increases the catalytic potential of VG. The VG substrate increases the electron density of the heteroatom, which decreases the energy barrier and improves the catalytic activity. The N-doped catalyst shows the best potential in the HER process. This work contributes for the development of carbon based cost-effective electrocatalysts for water-splitting.
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