The new dimension of silver

文献情報

出版日 2015-07-06

DOI 10.1039/C5CP03465E

インパクトファクター 3.676

著者

Li-Ming Yang, Thomas Frauenheim, Eric Ganz

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要旨

Although significant progress in the fabrication and applications of graphene-like materials has been made, free-standing metal monolayers are extremely rare due to the challenges in fabrication. Furthermore, such structures are often unstable versus 3D close-packed forms. Silver is an important noble metal with many unique properties, and has a wide range of applications in daily life and industry. Here, we display a new dimension of silver, i.e., a 2D Ag monolayer, with reduced dimensionality and quantum confinement. We observe that the Ag monolayer is stable in ab initio molecular dynamics simulations up to 800 K for 10 ps. The bond strength per atom actually increases from 0.21 eV for the bulk with twelve bonds to 0.33 eV for the 2D layer with six bonds. This increase in bond strength contributes to the stability of the free-standing 2D layer. Detailed density functional theory calculations are used to predict the properties of this material. The 2D Ag monolayer is the global minimum structure. One electron is delocalized into the whole sheet and is donated to a nearly free 2D electron gas.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 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.