Results 131 to 140 of about 2,584,295 (232)

Configurational Entropy and Compositional Effects in Fe‐Based Oxide 2D Sheets for Nitrate Electroreduction

Advanced Energy Materials, EarlyView.
FeCuCoMnZnOx integrates diverse heteroatomic bridge‐site environments and composition‐dependent electronic structures to promote nitrate activation and sequential hydrogenation toward ammonia, demonstrating that nitrate reduction reaction performance is governed by the combined effects of composition and local coordination rather than configurational ...
Muhammad Usman, Zhehao Sun, Yi‐Lun Chen, Kaili Liu, Xuechen Jing, Soshan Cheong, Zeno R. Ramadhan, Jiayi Chen, Shuwen Cheng, Ary Anggara Wibowo, Daniel Macdonald, Lucy Gloag, Nicholas Cox, Richard D. Tilley, Zongyou Yin   +14 more
wiley   +1 more source

Counter‐Halide‐Directed Ion‐Pair Passivation Enables High‐Performance Wide‐Bandgap Perovskites for Perovskite/Cu(In,Ga)Se2 Tandem Solar Cells

Advanced Energy Materials, EarlyView.
Counter‐halide engineering of fluorobenzylammonium surface passivators reveals bromide as the optimal partner for wide‐bandgap perovskites. FBz–Br effectively stabilizes halide‐vacancy‐related defects and undercoordinated Pb sites, suppresses non‐radiative recombination, and enhances surface hydrophobicity and thermal stability.
Huyen Tran, Dong Gyu Lee, Ahreum Lee, Inchan Hwang, Van Hung Tran, Jun Hyeok Choi, Junseop Byeon, Yu Jin Kim, Sang Hwan Nam, Jihye Gwak, Seung Kyu Ahn, Sungjun Hong, Kihwan Kim, Bong Joo Kang, Minwoo Park, SeJin Ahn, Tae Kyung Lee, Inyoung Jeong   +17 more
wiley   +1 more source

Molecular Preorganization Unlocks Reversible Solid‐State Photoconversion in Dianthrylnaphthalene‐Based Molecular Solar Thermal Systems

Angewandte Chemie, EarlyView.
Three dianthrylnaphthalenes were synthesized and investigated for molecular solar thermal (MOST) energy storage. Naphthyl‐based bridging units preorganize the two anthracene moieties face‐to‐face, leading to improved photoisomerization quantum yield (QY) and unlocked bidirectional photoswitching in the solid state compared to previously reported ortho ...
Nicolò Baggi, Lidiya M. Muhammad, Helen Hölzel, Liang Fei, Rebecca J. Salthouse, Mariusz Kubus, Sarah Plutzar, Magnus B. Johansen, Kurt V. Mikkelsen, Kasper S. Pedersen, Kasper Moth‐Poulsen   +10 more
wiley   +2 more sources

Machine learning–driven design of catalytic processes for sulfur dioxide oxidation: Lessons from the trenches

AIChE Journal, EarlyView.
Abstract Despite the growing use of ML in chemical engineering, the catalytic conversion of sulfur dioxide (SO2) to sulfur trioxide (SO3) remains underexplored from a data‐driven modeling perspective. This study evaluates an integrated workflow for literature‐derived SO2 oxidation data, combining data curation, preprocessing assessment, machine ...
Farough Agin, Jules Thibault, Clémence Fauteux‐Lefebvre   +2 more
wiley   +1 more source

An exothermic chemical reaction with linear feedback control

, 1996
This paper investigates the effect of linear control as applied to an exothermic Sal'nikov chemical reaction. It will demonstrate how the control reduces the amplitude of the naturally occurring oscillations in temperature.
Sexton M.J., Forbes L.K.
core  

Development and experimental validation of a predictive resilient framework for cyber‐physical systems

AIChE Journal, EarlyView.
Abstract Cyber‐physical process systems integrate process dynamics, control, sensing, actuation, and communication, making them vulnerable to attacks that falsify data, alter control actions, or disrupt networks and drive operations toward unsafe states.
Luyang Liu, Ritu Ranjan, Zaman Sajid, Benjamin Wilhite, Costas Kravaris, Faisal Khan   +5 more
wiley   +1 more source

Beyond Formate Trapping: A Mechanistic Framework for Homogeneous CO2‐to‐Methanol Conversion With First‐Row Transition Metals

Angewandte Chemie, EarlyView.
This review shows that converting CO2 into methanol with catalysts based on abundant first‐row metals requires more than overcoming formate formation. Success depends on balancing hydrogen activation, intermediate reactivity, product release, and catalyst stability.
Elise Boudry, Christophe M. Thomas
wiley   +2 more sources

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

Advanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary, Nicholas Ballard   +1 more
wiley   +1 more source

Enhanced Hydrogen Evolution Activity of MoS2 Through Solid Solution Modification of Its Edge Sites With Ruthenium

Angewandte Chemie, EarlyView.
Modulating the edge sites of molybdenum disulfide significantly boosts hydrogen production. By depositing Ru to form an edge‐coordinated solid solution, we accelerate water dissociation and shift the hydrogen evolution reaction pathway to Volmer–Tafel.
Jinsong Zhou, Tsz Kei Leung, Denis A. Kuznetsov, Christoph R. Müller, Lei Ran, Yingguang Zhang, Xin Li, Gang Li, Yifan Xu, Keda Chen, Qinglan Tang, Yaoyang Yu, Michael K.H. Leung   +12 more
wiley   +2 more sources

Physics‐Informed Machine Learning for Predicting Phases and Density of Al2O3–TiB2 Composites Synthesized via Laser Ignition From the Al–TiO2–B2O3–H3BO3 Reactive System

Advanced Intelligent Systems, EarlyView.
This interactive physics‐informed machine learning model predicts the composition and density of advanced ceramic materials produced by self‐propagating high‐temperature synthesis. The model requires user input processing parameters and demonstrates high accuracy.
Evangelos Daskalakis, Geeta Sharma, Sarathkumar Loganathan, Andrew Scott, Animesh Jha   +4 more
wiley   +1 more source