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- W2891681740 abstract "Abstract This chapter introduces relevant theory and results obtained from density functional theory (DFT) calculations to metallic nanoparticles. We present basic aspects of DFT and more specific DFT methods used for metallic systems. We discuss how DFT calculations can be used to study metallic nanoparticles and present important results obtained in the field of heterogeneous catalysis. Finally, we address some of the challenges and future developments needed for expanding the application of DFT calculations on metallic nanoparticles." @default.
- W2891681740 created "2018-09-27" @default.
- W2891681740 creator A5005828580 @default.
- W2891681740 creator A5013396298 @default.
- W2891681740 date "2018-01-01" @default.
- W2891681740 modified "2023-09-27" @default.
- W2891681740 title "DFT modeling of metallic nanoparticles" @default.
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