Anchored atomic tungsten on a B40 cage: a highly active and selective single-atom catalyst for nitrogen reduction
文献信息
Wen-Ying Li, Yi-Bing Sun, Meng-Yang Li, Xiao-Yu Zhang, Xiang Zhao, Jing-Shuang Dang
In comparison with the prevalent 2D material-supported single atom catalysts (SACs), the design and fabrication of SACs with single molecule substrates are still challenging. Here we introduce a new type of SAC in which a recently identified all-boron fullerene B40 is employed as the support and its catalytic performance toward the nitrogen reduction reaction (NRR) process is explored in theory. Taking advantage of the novel heptagonal ring substructure on the sphere and the electron-deficient nature of boron, the atomic metals are facile to reside on B40 to form atomically dispersed η7-B40M exohedral complexes. Among a series of candidates, originating from the proper metal–adsorbate interactions, the atomic tungsten-decorated B40W is screened out as the most feasible catalyst for the NRR with a low over-potential and high selectivity to passivate the competitive hydrogen evolution process.
期刊推荐

Russian Chemical Bulletin

Saudi Pharmaceutical Journal

Russian Journal of Coordination Chemistry

Nature Medicine

Current Opinion in Colloid & Interface Science

Current Opinion in Solid State & Materials Science

Drug Discovery Today

Journal of Saudi Chemical Society

Organic Process Research & Development

Chemistry Education Research and Practice
相关文献
Elaboration of nanohybrid materials by photopolymerisation of 3,4-ethylenedioxythiophene on TiO2
Fabrice Goubard, Pierre-Henri Aubert, Kada Boukerma, Emmanuel Pauthe, Claude Chevrot
DOI: 10.1039/B800754C
Nitroalkanes as new, ideal precursors for the synthesis of benzene derivatives
Roberto Ballini, Alessandro Palmieri, Luciano Barboni
DOI: 10.1039/B800941D
One-step synthesis of ordered mesoporous carbonaceous spheres by an aerosol-assisted self-assembly
Yan Yan, Fuqiang Zhang, Yan Meng, Bo Tu, Dongyuan Zhao
DOI: 10.1039/B702232H
Fabrication of oriented zeolite L monolayers employing luminescent perylenediimide-bridged silsesquioxane precursor as the covalent linker
Huanrong Li, Yige Wang, Wenjun Zhang, Binyuan Liu, Gion Calzaferri
DOI: 10.1039/B702175E
O-Dihaloarenes as aryne precursors for nickel-catalyzed [2 + 2 + 2] cycloaddition with alkynes and nitriles
Jen-Chieh Hsieh, Chien-Hong Cheng
DOI: 10.1039/B801870G
Monovalent indium in a sulfur-rich coordination environment: synthesis, structure and reactivity of tris(2-mercapto-1-tert-butylimidazolyl)hydroborato indium, [TmBut]In
Kevin Yurkerwich, Daniela Buccella, Jonathan G. Melnick, Gerard Parkin
DOI: 10.1039/B803037E
One-pot, large-scale synthesis of SnO2nanotubes at room temperature
Ning Du, Hui Zhang, Bingdi Chen, Xiangyang Ma, Deren Yang
DOI: 10.1039/B800401C
您可能还喜欢
4,5-二甲基-2-硝基苯甲酸(CAS号:4315-14-4)的市场或研究趋势如何?
4,5-二甲基-2-硝基苯甲酸主要应用于制药、染料和农药等行业。由于其潜在的毒性,其市场趋势可能受到法规限制和环保考量的影响,推动了替代产品的研发。在研究领域,...
处理直接黑22(CAS号:6473-13-8)时应注意哪些实验室安全事项?
处理直接黑22时应穿戴适当的个人防护装备(PPE),包括实验服、手套、护目镜和口罩。操作应在通风橱内进行,以避免吸入有害气体。如果发生泄漏,应立即清理,并使用大...
处理2,1,3-苯并噻二唑-4-基异氰酸酯(CAS号:342411-14-7)时应注意哪些实验室安全事项?
处理2,1,3-苯并噻二唑-4-基异氰酸酯时应注意以下安全事项:穿戴个人防护装备,如实验室外套、防护眼镜和手套;在通风橱中操作,确保良好的通风;保持实验室环境干...
如何处理含有Δ-8,9-脱氢雌酮(CAS号:204077-66-7)的废料?
含有Δ-8,9-脱氢雌酮的废料需要进行适当的处理以确保环境和人体安全。首先,收集废液并存放于密封容器中,避免泄漏。其次,可以考虑将其转化为无害物质或通过专业处理...
如何储存5-溴戊酸(CAS号:2067-33-6)?
5-溴戊酸应储存在阴凉、干燥、通风良好的环境中,避免阳光直射。建议在室温(约15-25°C)下保存,保持相对湿度低于60%。应使用密封的玻璃或塑料容器,并远离热...
4-(甲基亚磺酰基)苯胺(CAS号:22865-62-9)应用于哪些行业?
4-(甲基亚磺酰基)苯胺在医药、聚合物和传感器等领域有一定的应用。在医药方面,它可以用作合成药物的中间体;在聚合物领域,可以作为合成特殊性能高分子材料的单体;在...
什么是1-(2-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOHYDRAZIDE(CAS号:618092-58-3)?
1-(2-氟苯基)-5-甲基-1H-吡唑-4-亚甲基肼是一种有机化合物,其分子式为C9H9FN3O。该化合物具有特定的物理化学性质,如熔点、沸点等,但具体值需查...
Dauricumine(CAS号:345641-00-1)通常如何合成?
Dauricumine通常通过复杂的合成路线制备,涉及多个步骤,包括环化、氧化、卤化等反应。合成过程中使用了多种催化剂和试剂,例如金属催化剂、氧化剂等。产率通常...
5-氰基苯酞(CAS号:82104-74-3)安全吗?
5-氰基苯酞在正常使用条件下相对安全,但其具有一定的毒性,需谨慎操作。在实验或工业应用中,应采取适当的防护措施,如佩戴防护手套、护目镜和实验服,确保通风良好。误...
2-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine(CAS号:1186502-59-9)安全吗?
该化合物在使用时需要谨慎操作。虽然其毒性和健康风险尚未完全明确,但建议在通风良好的环境中操作,并穿戴适当的个人防护装备,如手套和防护眼镜。
来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

![4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate structure 4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl acetate structure](https://cnstatic.chemtradehub.com/structs/740/740081-22-5-f58f.webp)


