Mechanical activation assisted synthesis of atomically dispersed cobalt catalysts supported on N, P co-doped cellulose-derived carbon for nitrobenzene hydrogenation DOI

Haiyang Xie,

Tianyi Guo, Yanjuan Zhang

et al.

Applied Surface Science, Journal Year: 2024, Volume and Issue: unknown, P. 162020 - 162020

Published: Dec. 1, 2024

Language: Английский

Reaction Mechanisms and Applications of Single Atom Catalysts for Thermal-Catalytic Carbon Dioxide Hydrogenation Toward Oxygenates DOI
Fei Wang, Yicheng Liu,

Mengke Peng

et al.

ACS Catalysis, Journal Year: 2024, Volume and Issue: 14(21), P. 16434 - 16458

Published: Oct. 23, 2024

Thermo-catalytic CO2 hydrogenation to high-value oxygenates has been regarded as one of the most powerful strategies that can potentially alleviate excessive emissions. However, due high chemical stability and variability pathways, it is still challenging achieve highly active selective hydrogenation. Single atom catalysts (SACs) with ultrahigh metal utilization efficiency extraordinary electronic features have displayed growing importance for thermo-catalytic multiple developed improve performances. Here, we review breakthroughs in developing SACs efficient toward common (CO, HCOOH, CH3OH, CH3CH2OH) following order: first, an analysis reaction mechanisms thermodynamics challenges reactions; second, a summary SAs designed by dividing them into two categories single- dual-sites; third, discussion support effects focus on approaches regulating strong metal–support interaction (MSI). Summarily, current future perspectives develop higher-performance are presented. We expect this bring more design inspiration trigger innovation catalytic evolution materials eventually benefit achievement carbon-neutrality goal.

Language: Английский

Citations

7
Regulating the coordination microenvironment of zinc single-atom catalysts to enhance intramolecular hydroamination performance DOI
Li Wang, Chao Lv,

Kecan Dou

et al.

Inorganic Chemistry Frontiers, Journal Year: 2024, Volume and Issue: 11(14), P. 4207 - 4218

Published: Jan. 1, 2024

The Zn–N 2 P site, engineered with optimal electron density, demonstrates superior performance and enhanced reaction kinetics in the intramolecular hydroamination of o -alkynylaniline, outperforming current heterogeneous transition metal catalysts.

Language: Английский

Citations

5
Efficient isolated iron catalysts for selective arylamines synthesis using waste H2S as hydrogen source DOI
Xinhui Liu,

Rui Xie,

Xiaohai Zheng

et al.

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 162611 - 162611

Published: April 1, 2025

Language: Английский

Citations

0
Carbon nanotube-supported Co-N-C with enriched mesopores for hydrogenation of nitro compounds DOI
Chongqing Wang,

Jianfei Dang,

Yajing Han

et al.

Journal of Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 116152 - 116152

Published: April 1, 2025

Language: Английский

Citations

0
Dual single atoms (Pt, Ni) and Pt Ni alloy nanoparticles encapsulated N-doped carbon framework for durable ORR and HER electrocatalysts DOI
Thanh Duc Le, Dong‐Seog Kim,

Geun‐Jae Oh

et al.

Sustainable materials and technologies, Journal Year: 2024, Volume and Issue: 41, P. e01068 - e01068

Published: July 27, 2024

Language: Английский

Citations

3
Highly efficient Zn-MOF derived Carbon-Nitrogen material based catalyst for nitroaromatic Hydrogenation: The role of Zn-O-C bond and Pyridinic-N DOI
Yang Liu, Dong Han, Wei Xiong

et al.

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 496, P. 153776 - 153776

Published: July 6, 2024

Language: Английский

Citations

2
Theoretical Insights on the Synergistic Effect of Dual Metal Sites Supported on MgO(100) Promoting the Hydrogenation Reaction DOI
Ruifang Xue, Fangfang Wang, De‐Li Chen

et al.

The Journal of Physical Chemistry C, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 18, 2024

Designing heterogeneous catalysts with dual-functional sites for hydrogenation reactions holds significant potential improving activity and selectivity. We present that incorporate two distinct metal onto a MgO support, serving as adsorption reactant H2, respectively. From screening 16 candidates using density functional theory calculations, we identified Pt1Al1/MgO promising catalyst nitroaromatic hydrogenation. The Al–Mg moiety adsorbs 3-nitrostyrene via its nitro group, while the neighboring Pt–O facilitates H2 dissociation through transient frustrated Lewis pairs. synergistic effect of Al–O–Pt enhances reaction activity, driven by appropriate adsorption/desorption *H at Pt site low diffusion barrier. This study offers valuable insights into design pair is pivotal development dual-sites reactions.

Language: Английский

Citations

1
Theoretical Understandings on Mechanisms of Hydrogenation Activities Using Graphene‐Based Single‐Atom Catalysts DOI
De‐Li Chen, Chao Lv

ChemCatChem, Journal Year: 2024, Volume and Issue: 16(21)

Published: July 29, 2024

Abstract Metal single‐atom catalysts (SACs) have emerged as a promising class of in various fields, owing to their well‐defined active centers, tunable coordination environments, and high reaction selectivity. Among the diverse supports, graphene‐based SACs garnered significant attention due exceptional properties hydrogenation reactions. This review elucidates recent advancements theoretical investigations electronic geometric structures metal SACs, with focus on modulation strategies such number adjustment, heteroatom doping, defect site engineering, frustrated Lewis pair construction. emphasizes atomic‐level insights into mechanism thermocatalysis, including activation H‐source molecules, hydrogen diffusion, elementary steps. Strategies for modulating catalytic activity are summarized. Lastly, this offers perspectives design effective from standpoint, paving way future research exciting field.

Language: Английский

Citations

1
Investigation of a Single Atom Iron Catalyst for the Electrocatalytic Reduction of Nitric Oxide to Hydroxylamine: A DFT Study DOI

Wenqi Ruan,

Chen Yang, Hai Hu

et al.

Langmuir, Journal Year: 2024, Volume and Issue: 40(45), P. 24062 - 24073

Published: Nov. 3, 2024

Hydroxylamine, as an important reducing agent, disinfectant, foaming and biocide, plays a role in both human life industrial production. However, its synthesis is confronted with challenges, such high pollution large consumption. Here, we propose coordination tailoring strategy to design 47 graphene-supported single iron atom catalysts (SACs), namely, Fe@CxZy (Z = B, N, O, P, S), for the reduction of nitric oxide hydroxylamine. Using density functional theory calculations, demonstrated great impact environment on stability, catalytic selectivity, activity Fe site. We identified that experimentally available Fe@N4 possesses ultralow theoretical limiting potential −0.32 V compared other catalysts. A comprehensive investigation electronic properties elucidates underlying active origin reaction mechanism hydroxylamine Fe@N4. These results not only explain synthesized SACs NH2OH production but also offer guidance further optimizing high-performance

Language: Английский

Citations

1
Mechanical activation assisted synthesis of atomically dispersed cobalt catalysts supported on N, P co-doped cellulose-derived carbon for nitrobenzene hydrogenation DOI

Haiyang Xie,

Tianyi Guo, Yanjuan Zhang

et al.

Applied Surface Science, Journal Year: 2024, Volume and Issue: unknown, P. 162020 - 162020

Published: Dec. 1, 2024

Language: Английский

Citations

0