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Anchoring atomically dispersed FeN5 sites on porous and defect-rich biochar via cascade regulation strategy for efficient Fenton-like catalysis
Applied Catalysis B: Environment and Energy ( IF 20.2 ) Pub Date : 2023-11-29 , DOI: 10.1016/j.apcatb.2023.123570 Qing Du , Changqing Zhu , Cailiang Yue , Fenxian Cun , Zhiling Du , Fuqiang Liu , Aimin Li
Applied Catalysis B: Environment and Energy ( IF 20.2 ) Pub Date : 2023-11-29 , DOI: 10.1016/j.apcatb.2023.123570 Qing Du , Changqing Zhu , Cailiang Yue , Fenxian Cun , Zhiling Du , Fuqiang Liu , Aimin Li
Biochar-based single-atom catalyst with atomically dispersed FeN sites (Fe-N-FPBC) is rationally prepared through a micropores construction-functionalization-N doping cascade regulation strategy. The as-synthesized Fe-N-FPBC is rich in micropores and defects which are crucial for effective N doping to achieve FeN sites. The electron transfer mediated by Fe-N-FPBC contributes to the ultra-fast degradation of sulfamethoxazole via peroxymonosulfate activation. The catalyst-dosage-normalized kinetic constant is 52.63 L min g, outdistancing reported values. Density-Functional-Theory calculations reveal that the FeN site exhibits favorable global energy compared to FeN site. The axial ligand of FeN site results in thermodynamically facilitated electron extraction from contaminants, and also leads to the easier desorption of -SOH for rapid site regeneration. Overall, this work provides a pathway for the fabrication of biochar-based single-atom catalyst with high metal-N coordination number for efficient Fenton-like catalysis.
中文翻译:
通过级联调节策略将原子分散的 FeN5 位点锚定在多孔且富含缺陷的生物炭上,以实现高效的类芬顿催化
通过微孔构建-功能化-N掺杂级联调控策略合理制备了具有原子分散的FeN位点的生物炭基单原子催化剂(Fe-N-FPBC)。合成的 Fe-N-FPBC 富含微孔和缺陷,这对于有效 N 掺杂以获得 FeN 位点至关重要。 Fe-N-FPBC 介导的电子转移有助于通过过单硫酸盐活化实现磺胺甲恶唑的超快速降解。催化剂剂量归一化动力学常数为 52.63 L min g,超出报告值。密度泛函理论计算表明,与 FeN 位点相比,FeN 位点表现出有利的全局能量。 FeN位点的轴向配体导致热力学上促进从污染物中提取电子,并且还导致-SOH更容易解吸以实现快速位点再生。总的来说,这项工作为制造具有高金属-N配位数的生物炭基单原子催化剂提供了一条途径,以实现高效的类芬顿催化。
更新日期:2023-11-29
中文翻译:
通过级联调节策略将原子分散的 FeN5 位点锚定在多孔且富含缺陷的生物炭上,以实现高效的类芬顿催化
通过微孔构建-功能化-N掺杂级联调控策略合理制备了具有原子分散的FeN位点的生物炭基单原子催化剂(Fe-N-FPBC)。合成的 Fe-N-FPBC 富含微孔和缺陷,这对于有效 N 掺杂以获得 FeN 位点至关重要。 Fe-N-FPBC 介导的电子转移有助于通过过单硫酸盐活化实现磺胺甲恶唑的超快速降解。催化剂剂量归一化动力学常数为 52.63 L min g,超出报告值。密度泛函理论计算表明,与 FeN 位点相比,FeN 位点表现出有利的全局能量。 FeN位点的轴向配体导致热力学上促进从污染物中提取电子,并且还导致-SOH更容易解吸以实现快速位点再生。总的来说,这项工作为制造具有高金属-N配位数的生物炭基单原子催化剂提供了一条途径,以实现高效的类芬顿催化。