Journal ArticleDOI
The modulating effect of N coordination on single-atom catalysts researched by Pt-Nx-C model through both experimental study and DFT simulation
Mengmeng Fan,Mengmeng Fan,Jiewu Cui,Jiewu Cui,Jun-Jie Zhang,Jingjie Wu,Shuangming Chen,Li Song,Zixing Wang,Ao Wang,Robert Vajtai,Yucheng Wu,Pulickel M. Ajayan,Jianchun Jiang,Dongping Sun +14 more
TLDR
In this paper, an atomically dispersed Pt on N-doped carbon (Pt-NC) with Pt-Nx-C structure (1≤ x≤ 4), as a research model, is fabricated by a ZIF-8 template and applied to catalytic oxygen reduction.About:
This article is published in Journal of Materials Science & Technology.The article was published on 2021-11-20. It has received 21 citations till now. The article focuses on the topics: Catalysis & Coordination number.read more
Citations
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Structurally ordered PtFe intermetallic embedded in N-doped carbon as a highly active and durable electrocatalyst for oxygen reduction reaction
TL;DR: In this paper, a structurally ordered PtFe@NC-X-PDA catalyst with nitrogen-doped carbon coating layers was synthesized, which showed better catalytic activity and stability.
Journal ArticleDOI
Co/N-Doped hierarchical porous carbon as an efficient oxygen electrocatalyst for rechargeable Zn–air battery
TL;DR: In this paper, surface-oxidized Co nanoparticles (NPs) encapsulated into N-doped hierarchically porous carbon materials (Co/NHPC) are designed as ORR/OER catalysts for rechargeable Zn-air batteries via dual-templating strategy and pyrolysis process containing Co2+.
Journal ArticleDOI
Nanocrystal co-existed highly dense atomically disperse Pt@3D-hierarchical porous carbon electrocatalysts for tri-iodide and oxygen reduction reactions
TL;DR: In this article , a 3D hierarchical porous carbon (3D-HPC) substrate and nanocrystal co-existed highly dense Pt single atoms deposited by the incipient wetness impregnation method.
Journal ArticleDOI
Structurally ordered PtFe intermetallic embedded in N-doped carbon as a highly active and durable electrocatalyst for oxygen reduction reaction
TL;DR: In this article , a structurally ordered [email protected] catalyst with nitrogen-doped carbon coating layers by confined space annealing strategy was synthesized, which showed better catalytic activity and stability compared with the commercial Pt/C catalyst.
Journal ArticleDOI
Tough and flexible poly(dimethylsiloxane) elastomer reinforced by conductive bacterial cellulose frameworks for high-performance microwave absorber
TL;DR: In this paper, the authors proposed a green-based microwave absorber with superior performance inheriting from the biomass resources by hybridizing conductive polypyrrole (PPy) and bacterial cellulose (BC).
References
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Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI
Heterogeneous single-atom catalysis
TL;DR: A review of single-atom catalysts can be found in this paper, where the authors discuss the utility of SACs in a broad scope of industrially important reactions and highlight the advantages these catalysts have over those presently used.
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Isolated Single Iron Atoms Anchored on N-Doped Porous Carbon as an Efficient Electrocatalyst for the Oxygen Reduction Reaction
Yuanjun Chen,Shufang Ji,Yang-Gang Wang,Juncai Dong,Wenxing Chen,Zhi Li,Rongan Shen,Lirong Zheng,Zhongbin Zhuang,Dingsheng Wang,Yadong Li +10 more
TL;DR: Experiments demonstrated that maintaining the Fe as isolated atoms and incorporating nitrogen was essential to deliver the high performance, and the high reactivity to the high efficiency of the single Fe atoms in transporting electrons to the adsorbed OH species.
Journal ArticleDOI
Nitrogen‐Doped Ordered Mesoporous Graphitic Arrays with High Electrocatalytic Activity for Oxygen Reduction
TL;DR: Nonprecious-metal and metal-free catalysts for ORR have attracted enormous interest as an alternative to platinum-based catalysts and would aid attempts to elucidate the correlation between the structure, composition, and electrochemical activity of nitrogen-doped carbon materials.