相关论文: Electrochemical CO2 capture with pH-independent re…
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…
Cobalt-porphyrin catalyzed reductive decomposition of CO2 to CO is investigated based on Koper's water facilitated CO2 reduction mechanism using a simple but accurate protocol based on thermodynamics. In our protocol, accurate predictions…
Electrochemical CO2 reduction offers a method to use renewable electricity to convert CO2 into CO and other carbon-based chemical building blocks. While nearly all studies rely on a CO2 feed, we show herein that aqueous bicarbonate…
Radiative cooling by molecules is a crucial process for hydrodynamic escape, as it can efficiently remove the thermal energy driving the outflow, acquired through X-ray and extreme UV absorption. Carbon oxides, such as CO and CO2, and their…
The exact and phaseless variants of Auxiliary-Field Quantum Monte Carlo (AFQMC) have been shown to be capable of producing accurate ground-state energies for a wide variety of systems including those which exhibit substantial electron…
We present an experimental technique for determining the pH and the total carbon concentration when \ch{CO2} diffuses and flows in water. The technique employs three different pH indicators, which, when combined with an image analysis…
In charged water microdroplets, which occur in nature or in the lab upon ultrasonication or in electrospray processes, the thermodynamics for reactive chemistry can be dramatically altered relative to the bulk phase. Here, we provide a…
Efficient computational methods that are capable of supporting experimental measures obtained at constant values of pH and redox potential are important tools as they serve to, among other things, provide additional atomic level information…
A continuous CO2 vapor-fed electrochemical cell prototype that performs CO2R with high faradaic efficiency for desired carbon products for up to 72 hours of operation is presented. The cell design facilitates a flow through configuration,…
The aim of this work is to study heat pump cycles, using CO 2 based mixtures as working fluids. Since adding other chemicals to CO 2 moves the critical point and generally equilibrium lines, it is expected that lower operating pressures as…
Redox processes are important in chemistry, with applications in biomedicine, chemical analysis, among others. As many redox experiments are also performed at a fixed value of pH, having an efficient computational method to support…
Electrochemical conversion of CO2 (CO2R) into fuels and chemicals can both reduce CO2 emissions and allow for clean manufacturing in the scenario of significant expansion of renewable power generation. However, large-scale process…
Density-driven convection enhances the carbon dissolution rate, which is significant for the geological carbon storage. This process will also influence the spatiotemporal pH and carbon concentrations of the underground fluid. To illuminate…
Fundamental inorganic chemistry shows that increasing concentrations of atmospheric CO2 will have no harmful effect on organisms that live in the natural waters of the Earths, and may well benefit them. Alkalinity and dissolved CO2 give…
Electrochemically mediated selective adsorption is an emerging electrosorption technique that utilizes Faradaically enhanced redox active electrodes, which can adsorb ions not only electrostatically, but also electrochemically. The superb…
Converting CO$_2$ to useful compounds through the solar photocatalytic reduction has been one of the most promising strategies for artificial carbon recycling. The highly relevant photocatalytic substrate for CO$_2$ conversion has been the…
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…
Unless there is immediate, unprecedented, reduction in global demand for carbon-intensive energy and products, then capture and permanent storage of billions of tonnes of carbon dioxide (CO2) annually will be needed before mid-century to…
Using the pseudopotential density functional method as well as equilibrium thermodynamic functions, we explore the process of releasing H2 molecules adsorbed on a transition metal atom caused by the hydrogen-ammonia partial pressure…
The search for earth abundant, efficient and stable electrocatalysts that can enable the chemical reduction of CO2 to value-added chemicals and fuels at an industrially relevant scale, is a high priority for the development of a global…