Max-Planck-Institut für Kohlenforschung

The Catalytic AsymmetricAlkylation of Olefins withAlcohol Derivatives

Abstract Both olefins and arenes are abundant and versatile feedstock chemicals. Although the electrophilic alkylation of arenes constitutes an advanced technology, the corresponding alkylation of olefins is rather undeveloped. Here, we report an asymmetric catalytic benzylation...

Building a Physics-Aware AI Ecosystem for Solid-State Hydrogen Storage Materials

Abstract Hydrogen storage remains a central bottleneck for scalable hydrogen energy systems due to the multiscale and coupled nature of the thermodynamics, kinetics, and microstructural evolution of hydrogen storage materials (HSMs). Although artificial intelligence (AI) has acce...

IdentifyingQuantum Tunneling at Ambient Temperaturethrough Rate–Driving Force Responsiveness

Abstract Quantum mechanical tunneling can strongly influence chemical reactivity, yet its experimental identification remains limited. Here we derive a new diagnostic principle: tunneling leaves a distinct signature in the rate-driving force relationship. We show that tunneling r...

Modulating Local Coordination in Single‐Atom Catalysts: From Fundamental Concepts to Emerging Breakthroughs in Electrocatalysis

ABSTRACT Single‐atom catalysts (SACs) have attracted significant interest due to their maximized atom efficiency, structural precision, and unique catalytic properties. While the central metal atom in SACs serves as the primary active site, its catalytic behavior is strongly infl...

Modulating Local Coordination in Single‐Atom Catalysts: From Fundamental Concepts to Emerging Breakthroughs in Electrocatalysis

ABSTRACT Single‐atom catalysts (SACs) have attracted significant interest due to their maximized atom efficiency, structural precision, and unique catalytic properties. While the central metal atom in SACs serves as the primary active site, its catalytic behavior is strongly infl...