Size, dimensionality and composition effects on the Debye temperature of nanocrystals

Literature Information

Publication Date 2018-10-10
DOI 10.1039/C8CP04935A
Impact Factor 3.676
Authors

Yan-Li Ma, Ke Zhu, Ming Li


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Abstract

As an important property for reflecting the binding forces between atoms, the Debye temperature of nanocrystals can be tuned by size, dimensionality and composition. In order to understand how these factors influence the Debye temperature, in this contribution, a new nanothermodynamic model without any adjustable parameter was established by considering the surface stress and bond number simultaneously. As expected, the Debye temperature decreases with a decrease in size if the dimensionality is given, while the size effect on nanowires is stronger than that on thin films and weaker than that on nanoparticles. It is also found that the Debye temperature of nanoalloys decreases with the increase of the component with smaller cohesive energy for the same size and dimensionality. The validity of the model is proved by the good consistency between the model predictions and experimental and computer simulation results.

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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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