Results 171 to 180 of about 263,971 (296)

Band Gap Tuneability in Antiperovskite‐Based Nitrides AE3PnN and Imides AE5Pn2(NH)2 (AE = Ca, Sr; Pn = As, Sb, Bi)

open access: yesAngewandte Chemie, EarlyView.
A series of imide‐based defect antiperovskites AE5Pn2(NH)2 (AE = Ca, Sr; Pn = As, Sb, Bi) has been synthesized using the ammonothermal method. DFT calculations and spectroscopy revealed direct band gaps suitable for photovoltaic absorber materials. The discovered compounds can further be used as precursors for the synthesis of AE3PnN antiperovskites as
Thanh G. Chau   +9 more
wiley   +2 more sources

Supramolecularly Directed Confined Crystallization of Lamellar Carbon Nitride for Efficient Photocatalytic Hydrogen Generation

open access: yesAdvanced Energy Materials, EarlyView.
ABSTRACT Sustainable hydrogen generation through water splitting is key to realizing a future hydrogen economy. In this study, we achieved molecular‐level control over self‐assembled supramolecular complexes of cyanuric acid and 3‐amino 1,2,4 triazole (AT) monomers. This was coupled with molten‐salt‐assisted thermal polymerization in a eutectic mixture
Nithinraj Panangattu Dharmarajan   +13 more
wiley   +1 more source

Deprotonative C(sp3)/C(sp2)–H (Multi)Silylation of (Hetero)Arenes Mediated by NaTMP

open access: yesAngewandte Chemie, EarlyView.
An operationally simple protocol using a strongly basic sodium amide in combination with sterically emcumbered silicon electrophiles enables the deprotonative C–H (multi)silylation of a myriad of (hetero)arenes. Mechanistic investigations highlight the pivotal role of steric and coordination effects in controlling the regioselectivity and efficiency of
David Sánchez‐Roa   +6 more
wiley   +2 more sources

AI in chemical engineering: From promise to practice

open access: yesAIChE Journal, EarlyView.
Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew   +4 more
wiley   +1 more source

Catalysis AI Agent Guides Discovering the Universal Design Principle of Cu‐Based Single‐Atom Alloy Catalysts for CO2 Electroreduction

open access: yesAngewandte Chemie, EarlyView.
Artificial intelligence (AI) enables the systematic analysis and comparative evaluation of experimental and theoretical data, optimizes the catalytic reaction research workflow, and accelerates the discovery of high‐performance electrocatalysts. ABSTRACT Copper (Cu)‐based single‐atom alloys (SAAs) represent a promising strategy for optimizing the ...
Xuning Wang   +5 more
wiley   +2 more sources

Challenges and enablers in fluidization technology

open access: yesAIChE Journal, EarlyView.
Abstract Gas–solid fluidized beds provide excellent heat and mass transfer for high‐throughput operations from coating to catalytic conversion and underpin emerging low‐carbon technologies. Yet industrial reliability, scale‐up, and control lag scientific understanding, particularly as finer, stickier, and more variable feedstocks increasingly challenge
J. Ruud van Ommen, Jia Wei Chew
wiley   +1 more source

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