Chemical routes to modify, uplift, and detach a silicene layer from a metal substrate

Literature Information

Publication Date 2014-01-27
DOI 10.1039/C3CP55529A
Impact Factor 3.676
Authors

Leonidas Tsetseris, Dimitrios Kaltsas


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Abstract

Experimental studies have shown that honeycomb silicene layers can grow on various metal substrates. Here we demonstrate using first-principles calculations that hydrogenation and calcium intercalation can be employed to break bonds between a silicene overlayer and a silver surface. The end result of the former process is the creation of a silicane mono-layer, a wide band-gap semiconductor. In this way, the Si overlayer can eventually be etched away, in agreement with pertinent experiments. Ca intercalation, on the other hand, lifts the silicene sheet up without destroying its sp2 honeycomb bonding. Both approaches augment thus the functionalities of silicene overlayers by creating two-dimensional materials with distinct properties.

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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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