The alkaline polymer electrolyte fuel cells (APEFCs) hold great promise for using nonnoble metal-based electrocatalysts toward the cathodic oxygen reduction reaction (ORR), but are hindered by the sluggish anodic hydrogen oxidation reaction (HOR) in alkaline electrolytes. Here, a strategy is reported to promote the alkaline HOR performance of Ru by incorporating 3d-transition metals (V, Fe, Co, and Ni), where the conduction band minimum (CBM) level of Ru can be rationally tailored through strong d-d orbital coupling. As expected, the obtained RuFe nanosheet exhibits outstanding HOR performance with the mass activity of 233.46 A g and 23-fold higher than the Ru catalyst, even threefold higher than the commercial Pt/C. APEFC employing this RuFe as anodic catalyst gives a peak power density of 1.2 W cm , outperforming the documented Pt-free anodic catalyst-based APEFCs. Experimental results and density functional theory calculations suggest the enhanced OH-binding energy and reduced formation energy of water derived from the downshifted CBM level of Ru contribute to the enhanced HOR activity.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/smll.202202404 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Accelerating Fock Build via Hybrid Analytical-Numerical Integration.
J Phys Chem A
January 2025
Qingdao Institute for Theoretical and Computational Sciences and Center for Optics Research and Engineering, Shandong University, Qingdao 266237, P. R. China.
A hybrid analytical-numerical integration scheme is introduced to accelerate the Fock build in self-consistent field (SCF) and time-dependent density functional theory (TDDFT) calculations. To evaluate the Coulomb matrix [], the density matrix is first decomposed into two parts, the superposition of atomic density matrices and the rest = -. While [] is evaluated analytically, [] is evaluated fully numerically [with the multipole expansion of the Coulomb potential (MECP)] during the SCF iterations.
View Article and Find Full Text PDFRapid and in-depth reconstruction of fluorine-doped bimetallic oxide in electrocatalytic oxygen evolution processes.
J Colloid Interface Sci
January 2025
Key Laboratory of Fine Chemicals of College of Heilongjiang Province, Qiqihar University, Qiqihar 161006, China; School of Materials Science and Engineering, Jiamusi University, Jiamusi 154007, China. Electronic address:
Most transition metal-based electrocatalysts, when used for the oxygen evolution reaction (OER), undergo significant restructuring under alkaline conditions, forming localized oxides/hydroxides (MOOH), which act as the real active centers, activating adjacent metal sites and creating new active sites that enhance electrocatalytic behavior. Nevertheless, inducing rapid and in-depth self-reconstruction of catalyst surfaces remains a huge challenge. Herein, this work achieves rapid and in-depth self-reconstruction by doping fluorine into the lattice of transition metal oxides (MO).
View Article and Find Full Text PDFOrbital Coupling of Dual-Atom Sites Boosts Electrocatalytic NO Oxidation and Dynamic Intracellular Response.
Adv Mater
December 2024
School of Materials Science and Engineering, Peking University, Beijing, 100871, P. R. China.
In situ measurement of nitric oxide (NO) in living tissue and single cells is highly important for achieving a profound comprehension of cellular functionalities and facilitating the precise diagnosis of critical diseases; however, the progress is greatly hindered by the weak affinity of ultratrace concentration NO in cellular environment toward electrocatalysts. Herein, a new strategy is reported for precisely constructing orbital coupled dual-atomic sites to enhance the affinity between the metal atomic sites and NO on a class of N-doped hollow carbon matrix dual-atomic sites Co─Ni (CoNi-NC) for greatly boosting electrocatalytic NO performance. The as-synthesized CoNi-NC demonstrates a substantially higher current density than Ni-NC and Co-NC, coupled with exceptional stability with a negligible degradation rate of 0.
View Article and Find Full Text PDFMulti-Functional Descriptor Design of V-Based Double Atomic Catalysts for Room Temperature Sodium-Sulfur Batteries.
Small
December 2024
Xi'an Key Laboratory of Functional Organic Porous Materials, School of Chemistry and Chemical Engineering, Northwestern Polytechnical University, Xi'an, 710129, P. R. China.
Double atomic catalysts (DACs) have emerged as a promising approach for addressing the shuttle effect and sluggish kinetics in room temperature sodium-sulfur batteries (RT-SSBs). However, identifying optimal metal combinations to meet the multiple requirements for RT-SSBs is challenging. Herein, a method for designing V-based DACs catalysts (DAC-VX, X = metal atoms) is presented by distilling descriptors through first-principle calculations and Multi-Task Learning-Sure Independence Screening and Sparsifying Operator.
View Article and Find Full Text PDFExperimental Spin-Orbit State-Resolved Differential Cross Sections of the S(D) + D → SD(Π) + D Reaction at Collision Energies of 266.2 and 206.5 cm.
J Phys Chem A
November 2024
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023, China.
The S(D) + D → SD + D reaction is a prototype insertion chemical reaction that involves spin-orbit interactions in the exit channel. In this work, we report spin-orbit state-resolved differential cross sections (DCSs) of this reaction obtained by crossed beam experiments at collision energies of 266.2 and 206.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!