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The energy absorption on nanometer scale is vital for many bio and chemical systems. We report here that a two times amplification in absorption efficiency can be achieved by water molecules confined in carbon nanotubes with small radius,…

Mesoscale and Nanoscale Physics · Physics 2022-07-19 Rong-Yao Yang , Wei-Zhou Jiang , Pei-Ying Huo , Qi-Lin Zhang

Direct air capture of Carbon Dioxide is a technical solution that does not rely on natural processes to capture CO2 from the atmosphere. In DAC, the filter material is designed to specifically bind CO2 molecules. Hence a high-capacity…

Quantum Physics · Physics 2023-11-22 Gopal Ramesh Dahale

The kinetics of water adsorption by a natural zeolite (clinoptilolite) sample has been investigated by high-frequency AC current intensity measurements. According to the achieved kinetic results, cations should play a relevant role in the…

Materials Science · Physics 2019-06-11 Gianfranco Carotenuto

Global warming is seen as a drastic environmental problem nowadays. Carbon dioxide (CO 2 ) concentration in the Earth's atmosphere is linked to the average temperature on the surface of the planet. Carbon capture and storage is an important…

Chemical Physics · Physics 2022-01-04 Vitaly V. Chaban

We present a computational study into the adsorption properties of CO$_2$ on amorphous and crystalline water surfaces under astrophysically relevant conditions. Water and carbon dioxide are two of the most dominant species in the icy…

Astrophysics of Galaxies · Physics 2017-09-13 L. J. Karssemeijer , G. A. de Wijs , H. M. Cuppen

When reactive fluids flow through a dissolving porous medium, conductive channels form, leading to fluid breakthrough. This phenomenon is important in geologic carbon storage, where the dissolution of CO2 in water increases the acidity and…

Geophysics · Physics 2017-06-22 Yi Yang , Stefan Bruns , Susan Stipp , Henning Sørensen

Atom controlled sub-nanometer MoS$_2$ pores have been recently fabricated. Oxidative environments are of particular interest for MoS$_2$ applications in electronics, sensing and energy storage. In this work we carried out first-principles…

Materials Science · Physics 2023-01-31 Murilo Kendjy Onita , Flavio Bento de Oliveira , Andreia Luisa da Rosa

Liquids under confinement differ in behavior from their bulk counterparts and can acquire properties that are specific to the confined phase and linked to the nature and structure of the host matrix. While confined liquid water is not a new…

Materials Science · Physics 2020-07-22 François-Xavier Coudert

Carbon capture and storage (CCS) technology has been applied successfully in recent decades to reduce carbon emissions and alleviate global warming. In this regard, shale reservoirs present tremendous potential for carbon dioxide (CO2)…

Chemical Physics · Physics 2023-08-11 Jie Liu , Tao Zhang , Shuyu Sun

Nanopores are both a tool to study single-molecule biophysics and nanoscale ion transport, but also a promising material for desalination or osmotic power generation. Understanding the physics underlying ion transport through nano-sized…

Soft Condensed Matter · Physics 2021-04-02 Sanjin Marion , Michal Macha , Sebastian J. Davis , Andrey Chernev , Aleksandra Radenovic

Direct air capture (DAC) of carbon dioxide is a critical technology for mitigating climate change, but current materials face limitations in efficiency and scalability. We discover novel DAC materials using a combined machine learning (ML)…

Materials Science · Physics 2024-10-21 Megan C. Davis , Wilton J. M. Kort-Kamp , Ivana Matanovic , Piotr Zelenay , Edward F. Holby

In applications involving organic vapour, the performance of high surface area carbons is often challenged by water vapour in the atmosphere. Small angle neutron scattering (SANS), through its ability to distinguish between different…

Chemical Physics · Physics 2015-03-18 Krisztina László , Bruno Demé , Orsolya Czakkel , Erik Geissler

We present new metrics to evaluate solid sorbent materials for Direct Air Capture (DAC). These new metrics provide a theoretical upper bound on CO2 captured per energy as well as a theoretical upper limit on the purity of the captured CO2.…

Hydrophobic solid-water interfaces underpin processes in nanofluidics, electrochemistry, and energy technologies. Microscopic insights into these systems are often inferred from our understanding of the air-water interface, which is assumed…

Adsorption of water vapor in nanoporous carbons is rather complex due to an interplay between the pore structure and surface chemistry of these materials. Deciphering the mechanism of adsorption requires the knowledge of the spatial…

We consider super-Earth sized planets which have a water mass fraction that is large enough to form an external mantle composed of high pressure water ice polymorphs and that lack a substantial H/He atmosphere. We consider such planets in…

Earth and Planetary Astrophysics · Physics 2017-05-01 Amit Levi , Dimitar Sasselov , Morris Podolak

Carbon-carbon supercapacitors are high power electrochemical energy storage systems which store energy through reversible ion adsorption at the electrode-electrolyte interface. Due to the complex structure of the porous carbons used as…

Materials Science · Physics 2024-06-19 El Hassane Lahrar , Patrice Simon , Céline Merlet

We investigate the effect of pressure, temperature and acidity on the composition of water-rich carbon-bearing fluids at thermodynamic conditions that correspond to the Earth's deep Crust and Upper Mantle. Our first-principles molecular…

Chemical Physics · Physics 2020-06-24 Riccardo Dettori , Davide Donadio

We propose a new simple computational model to estimate adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3P), nitrogen (4S), and oxygen (3P) atoms based on…

Astrophysics of Galaxies · Physics 2018-03-14 Takashi Shimonishi , Naoki Nakatani , Kenji Furuya , Tetsuya Hama

Addressing climate change calls for action to control CO$_2$ pollution. Direct air and ocean capture offer a solution to this challenge. Making carbon capture competitive with alternatives, such as forestation and mineralisation, requires…