Motivated by applications of first-order theorem proving to software analysis, we introduce a new inference rule, called subsumption demodulation, to improve support for reasoning with conditional equalities in superposition-based theorem proving. We show that subsumption demodulation is a simplification rule that does not require radical changes to the underlying superposition calculus. We implemented subsumption demodulation in the theorem prover Vampire, by extending Vampire with a new clause index and adapting its multi-literal matching component. Our experiments, using the TPTP and SMT-LIB repositories, show that subsumption demodulation in Vampire can solve many new problems that could so far not be solved by state-of-the-art reasoners.

Metal‐organic frameworks (MOFs) are promising materials for photocatalytic water splitting reactions, but examples of visible light‐responsive, catalytically active, and stable MOFs are still rare. A detailed investigation is conducted for COK‐47 – a recently described MOF comprising 2D Ti‐O6 secondary building units (SBUs) – toward a photocatalytic hydrogen evolution reaction (HER), showing how overall particle morphology, surface area, and missing ligand defects are central parameters governing the material's ultimate performance. The newly synthesized COK‐47ISO is among the most active MOFs to date, yielding HER‐rates of 8.6 µmol h−1, and an apparent quantum yield (AQY) of 0.5% under visible light illumination. Optoelectronic and photoluminescence investigations, supported by theoretical calculations, enable the unraveling of its electronic structure along with charge transfer and recombination kinetics. A wavelength‐dependent reaction mechanism is proposed involving ligand to metal charge transfer (LMCT) and the main challenges for visible or UV photoexcitation are identified, demonstrating that the unique 2D layered structure aids charge separation and is key to the high performance. This work introduces COK‐47 as a promising alternative to the well‐known MIL‐125 family and offers directions for future studies

Today, many essential industrial processes depend on syngas. Due to a high energy demand and overall cost as well as a dependence on natural gas as its precursor, alternative routes to produce this valuable mixture of hydrogen and carbon monoxide are urgently needed. Electrochemical syngas production via two competing processes, namely carbon dioxide (CO2) reduction and hydrogen (H2) evolution, is a promising method. Often, noble metal catalysts such as gold or silver are used, but those metals are costly and have limited availability. Here, we show that metal-organic chalcogenolate assemblies (MOCHAs) combine several properties of successful electrocatalysts. We report a scalable microwave-assisted synthesis method for highly crystalline MOCHAs ([AgXPh] ∞: X = Se, S) with high yields. The morphology, crystallinity, chemical and structural stability are thoroughly studied. We investigate tuneable syngas production via electrocatalytic CO2 reduction and find the MOCHAs show a maximum Faraday efficiency (FE) of 55 and 45% for the production of carbon monoxide and hydrogen, respectively.

Answer Set Programming (ASP) solvers are highly-tuned and complex procedures that implicitly solve the consistency problem, i.e., deciding whether a logic program admits an answer set. Verifying whether a claimed answer set is formally a correct answer set of the program can be decided in polynomial time for (normal) programs. However, it is far from immediate to verify whether a program that is claimed to be inconsistent, indeed does not admit any answer sets. In this paper, we address this problem and develop the new proof format ASP-DRUPE for propositional, disjunctive logic programs, including weight and choice rules. ASP-DRUPE is based on the Reverse Unit Propagation (RUP) format designed for Boolean satisfiability. We establish correctness of ASP-DRUPE and discuss how to integrate it into modern ASP solvers. Later, we provide an implementation of ASP-DRUPE into the wasp solver for normal logic programs.

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