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The capture and storage of CO2, a major component of greenhouse gases, are crucial steps that can positively impact the global carbon balance. The capture of CO2 has been difficult due to its extremely high stability. In this study, we…

化学物理 · 物理学 2018-10-23 Ambrish Kumar Srivastava

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…

化学物理 · 物理学 2022-01-04 Vitaly V. Chaban

The development of carbon dioxide (CO2) scavengers is an acute problem nowadays because of the global warming problem. Many groups around the globe intensively develop new greenhouse gas scavengers. Room-temperature ionic liquids (RTILs)…

化学物理 · 物理学 2022-04-22 Vitaly V. Chaban , Nadezhda A. Andreeva , Iuliia V. Voroshylova

Carbon dioxide, CO2, capture by room-temperature ionic liquids (RTILs) is a vivid research area featuring both accomplishments and frustrations. This work employs the PM7-MD method to simulate adsorption of CO2 by 1,3-dimethylimidazolium…

材料科学 · 物理学 2015-06-22 Vitaly Chaban

Lithium salts with low coordinating anions like bis(trifluoromethanesulfonyl)imide (TFSI) have been the state-of-the-art for PEO-based 'dry' polymer electrolytes for three decades. Plasticizing PEO with TFSI-based ionic liquids (ILs) to…

Carbonates are the main species that bring carbon deep into our planet through subduction. They are an important rock-forming mineral group, fundamentally distinct from silicates in Earth's crust in that carbon binds to three oxygen atoms,…

材料科学 · 物理学 2015-03-13 Eglantine Boulard , Ding Pan , Giulia Galli , Zhenxian Liu , Wendy Mao

We present molecular dynamics simulations of the adsorption of mixed CO2-water vapors on a graphene flakes substrate, a model inspired by the microporous structure of activated carbons. Adsorption strength is quantified through a reduced…

材料科学 · 物理学 2025-12-17 Silvina Gatica

In the course of our investigations of the adsorption of ions to the air-water interface, we previously reported the surprising result that doubly-charged carbonate anions exhibit a stronger surface affinity than do singly-charged…

Electrolyte solutions based on the propylene carbonate (PC)-dimethoxyethane (DME) mixtures are of significant importance and urgency due to emergence of lithium-ion batteries. Solvation and coordination of the lithium cation in these…

材料科学 · 物理学 2015-02-02 Vitaly Chaban

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…

化学物理 · 物理学 2020-06-24 Riccardo Dettori , Davide Donadio

Direct laser-coolability and a comparatively simple electronic structure render alkaline-earth metal monofluoride molecules versatile laboratories for precision tests of fundamental physics. In this theoretical work, a route for efficient…

化学物理 · 物理学 2024-05-15 Konstantin Gaul , Ronald F. Garcia Ruiz , Robert Berger

Low salinity waterflooding (LSWF) enhances oil recovery at low cost in carbonate reservoirs, but its effectiveness requires precise control of injected water chemistry and interaction with reservoir minerals. This study develops an…

材料科学 · 物理学 2025-05-15 A. C. Alvarez , H. Bruining , D. Marchesin

Direct air capture of carbon dioxide (CO$_2$) is one of the most promising strategies to mitigate rising atmospheric CO$_2$ levels. Among various techniques, adsorption using porous materials is a viable method for extracting CO$_2$ from…

材料科学 · 物理学 2025-10-09 N. van Dongen , A. J. F. van Hoof , S. Calero , J. M. Vicent-Luna

By 2035, the need for battery-grade lithium is expected to quadruple. About half of this lithium is currently sourced from brines and must be converted from a chloride into lithium carbonate (Li2CO3) through a process called softening.…

The detection of CO2 on the Jovian satellite Europa by Galileo NIMS and recent mapping of the leading side by JWST has revealed that it is most concentrated in geologically young terrains, and its v3 asymmetric stretch appears as a spectral…

地球与行星天体物理 · 物理学 2026-05-01 Ashma Pandya , Swaroop Chandra , Michael E. Brown

The concentration of carbon dioxide (CO2) in the Earth atmosphere is linked to the acute problem of global warming. For the first time, we herein introduce trialkylsulfonium aprotic ionic liquids (ILs) as a group of seemingly highly…

化学物理 · 物理学 2023-05-08 Vitaly V. Chaban

A novel system containing nanoporous materials and carbonate ions is proposed, which is capable to capture CO2 from ambient air simply by controlling the amount of water (humidity) in the system. The system absorbs CO2 from the air when the…

化学物理 · 物理学 2017-02-02 Xiaoyang Shi , Hang Xiao , Xi Chen , Klaus. S. Lackner

We describe a new principle - the Alkalinity Concentration Swing (ACS) - for direct air capture of carbon dioxide driven by concentrating an alkaline solution that has been exposed to the atmosphere and loaded with dissolved inorganic…

化学物理 · 物理学 2021-12-07 Anatoly Rinberg , Andrew M. Bergman , Daniel P. Schrag , Michael J. Aziz

Lithium fluorinated carbon is one of the most promising chemistries for high-energy-density primary energy storage systems in applications where rechargeability is not required. Though Li/CFx demonstrates high energy density under ambient…

Carbon capture is vital for decarbonizing heavy industries such as steel and chemicals. Metal-organic frameworks (MOFs), with their high surface area and structural tunability, are promising materials for CO2 capture. This study focuses on…

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