Diamond nanoparticles as a new platform for the sequestration of waste carbon

文献情報

出版日 2013-05-07

DOI 10.1039/C3CP51333E

インパクトファクター 3.676

著者

Lin Lai, Amanda S. Barnard

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要旨

The use of carbon nanostructures to capture and store waste carbon, such as methane and carbon dioxide, is intrinsically attractive, particularly if the same molecules can be subsequently used as synthetic precursors. However, to facilitate adsorption of these highly stable species high pressures are required, and fragile carbon-based nanostructures may not survive. By combining electronic structure simulations and ab initio thermodynamics, we have investigated the thermochemical conditions required to adsorb CH, CH2, CO and CO2 on diamond nanoparticles, which can withstand higher temperatures and pressures than alternative carbon-based nanostructures. We find that, while CO2 must be over-saturated to facilitate stable adsorption (with high efficiency), the strength of the resultant C–O bonds means that desorption will not occur spontaneously when atmospheric pressure is resumed.

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.