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Structure-directing property and growth mechanism induced by cap** agents in nanostructured ZnO during hydrothermal synthesis—A systematic review
Abstract Zinc oxide nanoparticles (ZnO NPs) have become a topic of comprehensive
research from the past many years due to their excellent optical, physical and chemical …
research from the past many years due to their excellent optical, physical and chemical …
Machine learning potential era of zeolite simulation
Zeolites, owing to their great variety and complexity in structure and wide applications in
chemistry, have long been the hot topic in chemical research. This perspective first presents …
chemistry, have long been the hot topic in chemical research. This perspective first presents …
Solvent-Driven Self-Assembly of One-Dimensional Lepidocrocite Titanium-Oxide-Based Nanofilaments
Herein, the self-assembly of one-dimensional titanium oxide lepidocrocite nanofilaments in
10 different water miscible organic solvents was investigated. The nanofilament snippets …
10 different water miscible organic solvents was investigated. The nanofilament snippets …
Toward the atomic scale simulation of intricate acidic aluminosilicate catalysts
Zeolites are nanoporous aluminosilicates with well-defined crystalline structures, considered
key assets in heterogeneous catalysis, with a broad range of industrial applications …
key assets in heterogeneous catalysis, with a broad range of industrial applications …
Superior supercapacitive performance of Cu 2 MnSnS 4 asymmetric devices
Renewable energy sources are considered the cornerstone of achieving a sustainable
future for today's modern world. In the current research on energy storage devices, transition …
future for today's modern world. In the current research on energy storage devices, transition …
The role of chloride ion in the silicate condensation reaction from ab initio molecular dynamics simulations
The comprehension of silicate oligomer formation during the initial stage of zeolite synthesis
is of significant importance. In this study, we investigated the effect of chloride ions (Cl–) on …
is of significant importance. In this study, we investigated the effect of chloride ions (Cl–) on …
Molecular design of functional polymers for silica scale inhibition
Silica polymerization, which involves the condensation reaction of silicic acid, is a
fundamental process with wide-ranging implications in biological systems, material …
fundamental process with wide-ranging implications in biological systems, material …
Modeling of aqueous species interaction energies prior to nucleation in cement-based gel systems
Arguably the most ubiquitous construction material in modern civilization, concrete is
enabling the development of megacities around the globe together with increasing living …
enabling the development of megacities around the globe together with increasing living …
Ultrathin Microporous SiO2 Membranes Photodeposited on Hydrogen Evolving Catalysts Enabling Overall Water Splitting
Semiconductor systems for photocatalytic overall water splitting into H2 and O2 gases
typically require metal cocatalyst particles, such as Pt, to efficiently catalyze H2 evolution …
typically require metal cocatalyst particles, such as Pt, to efficiently catalyze H2 evolution …
Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling
ReaxFF reactive force field bridges the gap between nonreactive molecular simulations and
quantum mechanical calculations and has been widely applied during the past two …
quantum mechanical calculations and has been widely applied during the past two …