相关论文: Electrolytic Conversion of Bicarbonate into CO in …
A mathematical model for chemical reactions in electrolytes is developed using an Energy variational method consistent with classical thermodynamics. Electrostatics and chemical reactions are included in properly defined energetic and…
Microalgae are an abundant bioorganic material source and play a significant role in life on Earth by conducting photosynthesis for carbon dioxide (CO2) capture and its conversion to oxygen (O2). In this study, a combination of microalgae…
The prospects, needs and limits in current approaches in catalysis to accelerate the transition to e-chemistry, where this term indicates a fossil fuel-free chemical production, are discussed. It is suggested that e-chemistry is a necessary…
The use of pressure to obtain new materials that can be recovered under ambient conditions is a central problem in high-pressure physics. Despite decades of research, this goal has only been achieved in the laboratory for a few notable…
Theoretical modeling of electroosmosis through conducting (ideally polarizable) nanochannels is reported. Based on the theory of induced charge electrokinetics, a novel nanofluidic system which possesses both adjustable ion selective…
The radicals HCO and CH$_3$ on carbon monoxide ice surfaces were simulated using density functional theory. Their binding energy on amorphous CO ice shows broad distributions, with approximative average values of 500 K for HCO and 200 K for…
Over 90 % of all chemical manufacture uses a solid catalyst. Related work thus responds to major societal demand. This study is of water-gas shift on platinum for hydrogen production. The close-packed Pt(111) surface catalyses this process.…
We present theoretical analysis on why and how rechargeable metal-air type batteries can be made significantly safer and more practical by utilizing CO2/oxalate conversions instead of O2/peroxide or O2/hydroxide ones, in the positive…
CO$_2$ with an admixture of C$_4$F$_7$N could serve as an eco-friendly alternative to the extreme greenhouse gas SF$_6$ in high-voltage insulation. Streamer discharges in such gases are different from those in air due to the rapid…
To reduce the experimental validation workload for chemical researchers and accelerate the design and optimization of high-energy-density lithium metal batteries, we aim to leverage models to automatically predict Coulombic Efficiency (CE)…
The current work studies the electrocatalytic performance of NaNbO$_3$ microcubes decorated with WO$_3$ nanoparticles on Printex L6 at varying concentrations (1%, 3%, 5%, and 10% by weight) for H$_2$O$_2$ electrogeneration aiming for future…
Nonlinear electrokinetic phenomena, where electrically driven fluid flows depend nonlinearly on the applied voltage, are commonly encountered in aqueous suspensions of colloidal particles. A prime example is the induced-charge…
Semiconductor nanostructures based on two dimensional electron gases (2DEGs) have the potential to provide new approaches to sensing, information processing, and quantum computation. Much is known about electron transport in 2DEG…
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…
The use of floating bipolar electrodes in copper electro-winning cells represents an emerging technology that promises economic and operational impacts. This thesis presents EWCellCAD, a computational tool designed for the simulation and…
Electroosmosis is a fascinating effect where liquid motion is induced by an applied electric field. Counter ions accumulate in the vicinity of charged surfaces, triggering a coupling between liquid mass transport and external electric…
The production of multicarbon (C2+) products through electrocatalytic CO2 reduction reaction (CO2RR) is crucial to addressing global environmental challenges and advancing sustainable energy solutions. However, efficiently producing these…
In this paper, the solubility of carbon dioxide (CO$_{2}$) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and TraPPE model for CO$_{2}$. In particular, the…
Advancing new ideas of rechargeable batteries represents an important path to meeting the ever increasing energy storage needs. Recently we showed rechargeable sodium/chlorine (Na/Cl$_2$) (or lithium/chlorine Li/Cl$_2$) batteries that used…
Dielectric barrier discharges (DBDs) are commonly used to generate cold plasmas at atmospheric pressure. Whatever their configuration (tubular or planar), the presence of a dielectric barrier is mandatory to prevent too much charge build up…