Computational chemistry for graphene-based energy applications: progress and challenges
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Title
Computational chemistry for graphene-based energy applications: progress and challenges
Authors
Keywords
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Journal
Nanoscale
Volume 7, Issue 16, Pages 6883-6908
Publisher
Royal Society of Chemistry (RSC)
Online
2015-03-23
DOI
10.1039/c5nr00690b
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- Characterizing the Interaction of Pt and PtRu Clusters with Boron-Doped, Nitrogen-Doped, and Activated Carbon: Density Functional Theory Calculations and Parameterization
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- Water Confined in Nanotubes and between Graphene Sheets: A First Principle Study
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- Modelling the nanoscale patterning of nucleic acid base pairs deposited on graphite
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- Structure of water adsorbed on a single graphene sheet
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- Electronic structure of graphene and doping effect onSiO2
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- First-principles study of metal adatom adsorption on graphene
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- Edge States and Magnetism in Carbon Nanotubes with Line Defects
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- Doping Graphene with Metal Contacts
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- Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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- Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
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- Improvement of the structural and chemical properties of a commercial activated carbon for its application in electrochemical capacitors
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