Results 131 to 140 of about 29,057 (291)
A universal catalyst design framework integrating weighted atom‐centered symmetry function (wACSF) descriptors with machine learning accurately predicts adsorption energies for 2e− water oxidation reaction. Microkinetic modeling and experimental validation confirm the framework's universality, establishing a powerful paradigm for rational ...
Zhijian Liu +17 more
wiley +2 more sources
Electrochemical Nitrate Reduction Reaction to Ammonia at Industrial‐Level Current Densities
This review starts from the mechanism and theoretical basis of electrochemical nitrate reduction reaction (NO3−RR), and systematically summarizes and discusses the design strategies of industrial‐level current density catalysts. In addition, the progress of industrial‐level NO3−RR‐based electrolyzers, including flow reactor and membrane electrode ...
Zhijie Cui +4 more
wiley +1 more source
Yb2‐Tb Upconversion in a Hetero‐Trimetallic Molecular Lanthanide Complex
Lanthanides are at the forefront of photon upconversion in molecular systems; however, the chemical nature of the lanthanides makes site‐specific coordination chemistry difficult to achieve. Here, we employ kinetically stabile building blocks to achieve hetero‐trimetallic 4f complexes with complete site‐specific chemical control.
Nicolaj Kofod +8 more
wiley +2 more sources
Improved Direct Ink Writing of Liquid Metal Foams via Liquid Additives
The ability to pattern liquid metal is useful for making soft electrical and thermal devices. Dispensing liquid metal from a nozzle naturally results in the formation of spheroidal droplets, making direct‐write printing challenging. Liquid metal foams containing pockets of air can extrude as filaments, albeit inconsistently.
Febby Krisnadi +3 more
wiley +1 more source
A closed‐loop, data‐driven approach facilitates the exploration of high‐performance Si─Ge─Sn alloys as promising fast‐charging battery anodes. Autonomous electrochemical experimentation using a scanning droplet cell is combined with real‐time optimization to efficiently navigate composition space.
Alexey Sanin +7 more
wiley +1 more source
Stabilization of the Benzene Radical Trianion in an Inverse‐Sandwich Yttrium Complex
A new type of benzene anion state is born: The unprecedented benzene radical trianion embedded in an inverse‐sandwich yttrium complex was synthesized by a one‐electron chemical reduction of its benzene dianion precursor using potassium graphite in the presence of [2.2.2]‐cryptand.
Weiqing Mao +5 more
wiley +2 more sources
Aqueous Zinc‐Based Batteries: Active Materials, Device Design, and Future Perspectives
This review conducts a comprehensive analysis of aqueous zinc‐based batteries (AZBs) based on their intrinsic mechanisms, including redox reactions, ion intercalation reactions, alloying reactions, electrochemical double‐layer reactions, and mixed mechanisms, systematically discussing recent advancements in each type of AZBs.
Yan Ran, Fang Dong, Shuhui Sun, Yong Lei
wiley +1 more source
A controllable alloying–dealloying strategy constructs PtNi core–shell nanoparticles confined within an N‐doped carbon framework. Selective ammonia‐assisted dealloying forms a Pt‐rich shell while immobilizing Ni as Ni–N/C moieties, synergistically stabilizing the catalyst.
Fei Guo +14 more
wiley +2 more sources
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu +5 more
wiley +1 more source
This work establishes an MXene‐based S‐scheme heterojunction in which the cooperative interplay among metallic Ni, surface NiOx domains, and conductive Ti3C2Clx drives efficient charge separation and photothermal coupling. Progressive evolution of Ni surface states regulates the CH4/CH3OH product distribution by modulating interfacial energetics and ...
Dawid D. Kruger +6 more
wiley +2 more sources

