相关论文: Economically viable CO2 electroreduction embedded …
Many studies have shown that hydrogen could play a large role in the energy transition for hard-to-electrify sectors, but previous modelling has not included the necessary features to assess its role. They have either left out important…
With 1.85 billion tons produced per year, steel is the most important material class in terms of volume and environmental impact. While steel is a sustainability enabler, for instance through lightweight design, magnetic devices, and…
The uptake of battery electric vehicles (BEVs) is increasing to reduce greenhouse gas emissions in the transport sector. The rapid adoption of BEVs depends significantly on the coordinated charging/discharging infrastructure. Without it,…
Hydrogen production is a vital process in the quest for decarbonization and a sustainable future. This conversation explores the various technologies used in hydrogen production, such as steam methane reforming, electrolysis, and biomass…
In Paper I, the effective one-electron potentials (OEP) method was introduced and demonstrated as an efficient approach to reduce the computational cost of evaluation of the charge-transfer interaction energy within the effective fragment…
We used density functional theory to computationally design a Zr organometallic catalyst for selectively oxidizing substrates using molecular oxygen as oxidant without coreductant. Each selective oxidation cycle involves four general steps:…
The photochemical CO2 reduction reaction represents a zero-carbon pathway for converting CO2 into value-added chemicals, yet its industrial implementation has been constrained by low selectivity and product diversity. Dirac nodal arc…
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…
Electrowetting on dielectric is demonstrated with a thin spin-coated fluoropolymer over an aluminum electrode. Previous efforts to use thin spin-coated dielectric layers for electrowetting have shown limited success due to defects in the…
Solar water splitting provides a promising path for sustainable hydrogen production and solar energy storage. One of the greatest challenges towards large-scale utilization of this technology is reducing the hydrogen production cost. The…
High-temperature solid oxide electrolysis cells (SOECs) are a potential core power-to-X (P2X) technology due to their unparalleled system efficiencies, that can exceed 85 % when excess heat from exothermic downstream processes is available.…
Low carbon synfuel can displace transport fossil fuels such as diesel and jet fuel and help achieve the decarbonization of the transportation sector at a global scale, but large-scale cost-effective production facilities are needed.…
Electro-osmosis (EO) is a powerful tool to manipulate liquids in micro and nanofluidic systems. While EO has been studied extensively at liquid-solid interfaces, the case of liquid-vapor interfaces, found e.g. in foam films and bubbles,…
STEP (Solar Thermal Electrochemical Production) is an alternative solar energy conversion process. New and original, unpublished STEP results are compared with other STEP results. The STEP process uses semiconductors, solar energy and…
We use quantum chemical calculations to elucidate a viable homogeneous mechanism for pyridine-catalyzed reduction of CO2 to methanol. In the first component of the catalytic cycle, pyridine (Py) undergoes a H+ transfer (PT) to form…
Electrocatalytic hydrogen evolution reaction (HER) in alkaline media is a promising electrochemical energy conversion strategy. Ruthenium (Ru) is an efficient catalyst with a desirable cost for HER, however, the sluggish H2O dissociation…
Photoreduction of CO$_2$ is an important alternative approach aimed to reduce the CO$_2$ atmospheric content which is responsible of the global warming. The development of an efficient photocatalyst can strongly improve the efficiency and…
An electric vehicle (EV) may be used as energy storage which allows the bi-directional electricity flow between the vehicle's battery and the electric power grid. In order to flatten the load profile of the electricity system, EV scheduling…
Understanding the oxidation and reduction mechanisms of catalytically active transition metal nanoparticles is important to improve their application in a variety of chemical processes. In nanocatalysis the nanoparticles can undergo…
Exploring and developing low-cost, high-performance, and stable catalysts for the oxygen reduction reaction (ORR) is of great importance, though progress is ongoing. In this work, a simple evaporation-pyrolysis method is employed to…