A Multi‐Scale Machine Learning Framework for the Inverse Design of High Entropy Alloys
High‐entropy alloys offer vast potential for various applications, including electrocatalysis; however, their compositional complexity challenges conventional screening. We introduce an inverse‐design framework combining two neural networks to determine optimal compositions and reconstruct nanoparticle geometry from targeted properties and conventional
Mikael Takoutsin +14 more
wiley +1 more source
Double-Atom Catalysts Provide a Molecular Platform for Oxygen Evolution [PDF]
The oxygen evolution reaction (OER) is an essential anode reaction for the generation of solar and electric fuels through water splitting or CO2 electroreduction.
Lichen, Bai +4 more
core +2 more sources
PUF/ENB microcapsules were synthesized based on a sequential factorial design and incorporated into an epoxy matrix. Their anticorrosive action, associated with the self‐healing mechanism, demonstrated that the addition of microcapsules to the coating improved anticorrosive performance compared to pure epoxy coatings, particularly when the encapsulate ...
Vandicleya Alves Moreira +6 more
wiley +1 more source
Single atom catalysts in Van der Waals gaps
Single-atom catalysts provide efficiently utilized active sites to improve catalytic activities while improving the stability and enhancing the activities to the level of their bulk metallic counterparts are grand challenges.
Liu, Wei +13 more
core +1 more source
Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian +7 more
wiley +1 more source
Electrospun Wood‐Derived Biopolymers as Electrodes in Electrochemical Energy Storage Technologies
Electrospinning transforms wood‐derived cellulose and lignin into architecturally defined, binder‐free carbon electrodes with tuneable porosity and functionality. This review shows how fibre design enables decoupled charge and mass transport, enhancing performance across battery systems, while identifying key challenges in spinnability, scalability ...
Michael W. Thielke +3 more
wiley +1 more source
Efficient and Selective Electrochemical CO2 to Formic Acid Conversion: A First-Principles Study of Single-Atom and Dual-Atom Catalysts on Tin Disulfide Monolayers [PDF]
Electrochemical CO2 reduction reaction (CO2RR), is a sustainable approach to recycle CO2 and address climate issues, but needs selective catalysts that can operate at low electrode potentials.
Clotilde S., Cucinotta +5 more
core +2 more sources
Enhanced Oxygen Evolution Kinetics via Single‐Atom Catalyst Design: A Review
This review highlights recent advancements in enhancing oxygen evolution reaction kinetics through the design of single‐atom catalysts. By leveraging the unique properties of single‐atom catalysts (SACs), including high atom utilization and tunable ...
Zhen Yuan +7 more
doaj +1 more source
Ionic Precursors Transformed Into Vinyl Acetate Synthesis Catalyst via Reaction‐Driven Restructuring
This work demonstrates that a simple physical mixture of Pd and Au ionic precursors, KOAc promoter, and SiO2 support can transform into a highly active vinyl acetate synthesis catalyst through reaction‐driven restructuring. The results highlight reaction‐induced restructuring as an innovative and sustainable catalyst design strategy.
Byeong Jun Cha +11 more
wiley +1 more source
Towards an integrated atom chip
The field of atom chips is a relatively new area of research which is rapidly becoming of great interest to the scientific community. It started out as a small branch of cold atom physics which has quickly grown into a multidisciplinary subject.
Lewis, Gareth Neil
core +1 more source

