Effects of Supporting Electrolyte and Solvent on the Thermodynamics and Kinetics of Reduction Reactions in a Keggin-Type Polyoxotungstate. [PDF]
Guirguis HA +4 more
europepmc +1 more source
Interface‐Mediated Catalysis for Improved Hydrogen Storage in Reactive Hydride Composites
Catalyst–hydride interfaces are engineered in Co@C‐ and Ni@C‐modified 2LiH + MgB2 reactive hydride composites to accelerate hydrogen uptake and release. Multiscale scattering, in‐situ synchrotron radiation powder x‐ray diffraction and density functional theory calculations reveal the structural and electronic origin of the catalytic enhancement ...
Yuanyuan Shang +12 more
wiley +1 more source
Anode-Free Sodium Metal Batteries: From Materials Design to System-Level Integration. [PDF]
Hussain H +10 more
europepmc +1 more source
Phase‐Engineered MoS2 Quantum Monolayer Catalysts
A new type of catalyst model—phase‐engineered MoS2 quantum‐monolayer catalyst (∼0.8 nm thick, < 6 nm in the lateral size; switchable freely among metallic 1T, semiconducting 2H, and a hybrid phase of metallic‐semiconducting 1T‐2H)—is reported. It can efficiently and stably drive photochemical H2, syngas and ammonia synthesis as a catalyst or co ...
Ruijie Yang +12 more
wiley +1 more source
Thermodynamics of Acidity and Photoacidity in <i>trans</i>-Resveratrol Analogues: The Role of Prototropic Tautomerism. [PDF]
Kováčová A, Michalík M, Lukeš V.
europepmc +1 more source
Ionic cocrystal‐programmed ionic organization establishes a general strategy for electrostatic programming in polymeric photocatalysts. ABSTRACT Controlling the spatial organization of ions in polymeric photocatalysts remains a fundamental challenge for optimizing charge transport and catalytic selectivity in solar‐driven hydrogen peroxide (H2O2 ...
Anna Lo Presti +6 more
wiley +1 more source
Stereosynthesis of stationary phase with precision defined separation selectivity. [PDF]
Huang X +10 more
europepmc +1 more source
Descriptor‐Informed Screening of Interface‐Active Molecules for Efficient Magnesium Metal Anodes
A descriptor‐informed molecular screening strategy identifies 4‐bromo‐N, N‐dimethylaniline (BrNNA) as an interface‐active electrolyte component that enables fast Mg stripping/plating in Mg(TFSI)2‐based electrolytes. By simultaneously regulating Mg2+ solvation and interphase formation, the BrNNA‐containing electrolyte delivers activation‐free Mg ...
Hao Xu +16 more
wiley +1 more source
Accurate Solution-Phase Thermodynamics via Composite Quantum Chemistry and Machine Learning: Application to Biomass Decomposition. [PDF]
Fujinami M +4 more
europepmc +1 more source
Development of a novel method for synthesizing Ni single atom catalysts for highly selective electrochemical CO2 reduction in situ. This catalyst achieves 100% selectivity for CO and is formed in an industrially relevant cell architecture. Using post‐mortem XRD, STEM, and EDS and operando XAS, the identity of the active site and the mechanism behind ...
Ian Street +5 more
wiley +1 more source

