A computational chemistry insight in the role of structure directing agents in the synthesis of zeolites

Literature Information

Publication Date 2007-01-18
DOI 10.1039/B615035G
Impact Factor 3.676
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Abstract

The role of structure directing agents in the synthesis of zeolites has been studied through atomistic simulation techniques. Three different kinds of structure directing agents have been reviewed: (i) isomorphic heteroatom Si → Al and Si → Ge substitutions; (ii) F− anions; and (iii) organic SDAs. The interplay between these structure directing agents is described and the separate effects of each one have been found from energy calculations and analysis of energetic terms.

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Contents list

Front/Back Matter

DOI: 10.1039/D0PY90148B

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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