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Proton Exchange Membrane Fuel Cell (PEMFC) is widely recognized for its cleanliness and high efficiency, but is still facing challenges in cold environments. At low temperatures, the formation of ice and repeated freezing/thawing cycles may…
Novel photoelectrocatalysts that use sunlight to power the CO$_2$ reduction reaction will be crucial for carbon-neutral power and energy-efficient industrial processes. Scalable photoelectrocatalysts must satisfy a stringent set of…
A discarded motherboard based eco-friendly copper catalyst has been programmed to replace the industrially used tin based catalyst DBTDL. The catalyst has been characterized by UV-Vis spectroscopy, FT-IR and TEM. Using the catalyst reaction…
Fuel cells recombine water from H2 and O2 thereby powering e.g. cars or houses with no direct carbon emission. In anion-exchange membrane fuel cells (AEMFCs), to reach high power densities, operating at high pH is an alternative to using…
Pristine graphene is thought lack of catalytic activity up to date, although using graphene-plus-heteroatom materials as catalysts has become a subject of intensive research because it can be metal saving, eco-friendly and ultimately…
Hydrogen fuel cells offer a clean and sustainable energy conversion solution. The bipolar separator plate, a critical component in fuel cells, plays a vital role in preventing reactant gas cross-contamination and facilitating efficient ion…
In the paper a mathematical model of the PEN structure (positive electrode - electrolyte - negative electrode) of the Solid Oxide Fuel Cell (SOFC) is analyzed. It is proved that classical formulation of the problem leads inevitably to…
Phonon assisted photoluminescence provides a direct window into exciton phonon interactions in low dimensional semiconductors. Using fully ab initio many body perturbation theory, including finite momentum Bethe Salpeter calculations, we…
Photocatalytic oxidation (PCO) is a promising strategy for indoor air purification and outdoor pollutant abatement, potentially offering treatment for climate- and health-relevant pollutants such as methane (CH$_4$), nitrogen oxides…
The applied potential governs lithium-intercalation and electrode passivation reactions in lithium ion batteries, but are challenging to calibrate in condensed phase DFT calculations. In this work, the "anode potential" of charge-neutral…
This paper describes simulation analyses on beam and laser (X-ray)-driven accelerations in effective nanotube models obtained from Vsim and EPOCH codes. Experimental setups to detect wakefields are also outlined with accelerator facilities…
A silicon light source at communication wavelength is the bottleneck for developing monolithically integrated silicon photonics. Doping silicon with erbium ions was believed to be one of the most promising approaches but suffers from the…
On highly oxygen deficient thin films of hafnium oxide (hafnia, HfO$_{2-x}$) contaminated with adsorbates of carbon oxides, the formation of hafnium carbide (HfC$_x$) at the surface during vacuum annealing at temperatures as low as 600…
Ammonia has strong poisoning effects on cathode catalyst layers of proton exchange membrane (PEM) fuel cells, but the poisoning mechanism is still unclear. In this study, all-atom molecular dynamics simulations are employed to investigate…
We developed a facile and scalable 3-step hydrothermal, electrodeposition, and annealing technique to synthesize a variety of nanowire heterostructures. The heterojunction catalysts of CP-ZnO-MoS2 and CP-ZnO-ZnS-MoS2 both saw an increase in…
In this work, the polymerization of limonene oxide (LO) has been optimized at room temperature with two different aluminium-based catalysts [AlMeX{2,6-(CHPh$_2$)$_2$-4-tBu-C$_6$H$_2$O}] (X = Me (1), Cl (2)). A fully bio-based ether,…
Unexpected ferromagnetism has been observed in carbon doped ZnO films grown by pulsed laser deposition [Phys. Rev. Lett. 99, 127201 (2007)]. In this letter, we introduce carbon into ZnO films by ion implantation. Room temperature…
The electron--phonon coupling in fullerene C28 has been calculated from first principles. The value of the associated coupling constant lambda/N(0) is found to be a factor three larger than that associated with C60. Assuming similar values…
Large-scale applications are waiting for an optimal CO2 scavenger to reinforce CCS and CCU technologies. We herein introduce and succinctly validate a new philosophy of capturing gaseous CO2 by negatively-charged carbonaceous structures.…
The fast ignition paradigm for inertial fusion offers increased gain and tolerance of asymmetry by compressing fuel at low entropy and then quickly igniting a small region. Because this hotspot rapidly disassembles, the ions must be heated…