相关论文: Economically viable CO2 electroreduction embedded …
By deintercalation of Na+ followed by inserting bilayers of water molecules into the host lattice, the layered cobalt oxide of gamma-Na0.7CoO2 undergoes a topotactic transformation to a layered cobalt oxyhydrate of Na0.35(H2O)1.3CoO2-delta…
Electrochemical water electrolysis, which produces clean energy carriers to mitigate carbon emissions, lacks suitable, low-cost electrodes for efficient oxygen evolution reaction (OER) in alkaline water splitting. To address this challenge,…
We study the ring-opening decomposition of ethylene carbonate in the presence of a single lithium atom and on the surface of lithium metal. Combining accurate electronic structure theory, enhanced sampling, and machine learning, we…
CO2 has been detected in both the tenuous exosphere and surface chaos regions of Europa, but it is still unclear whether this CO2 is generated in situ by radiolysis or whether it is directly delivered by the ocean. In this work, we study…
Hydrogen produced through electrolysis with renewable power is considered key to decarbonize several hard-to-electrify sectors. This work proposes a novel approach to model the active electricity market participation of co-located renewable…
Efficient discovery of electrocatalysts for electrochemical energy conversion reactions is of utmost importance to combat climate change. With the example of the oxygen reduction reaction we show that by utilising a data-driven discovery…
The hydrogen combustion engine (H$_2$ICE) is known to be able to burn H$_2$ under ultra-lean conditions, while producing no CO$_2$ emissions and extremely low engine-out NO$_x^{\mathrm{eo}}$ emissions. Immediate goals, as for instance the…
Increasing anthropogenic carbon dioxide (CO$_2$) emissions have led to rising global temperatures and climate change. Using earth-abundant metal-oxide catalysts such as Cu$_2$O for reducing CO$_2$ through RWGS reaction seems lucrative. In…
We performed density-functional theory calculations using the generalized gradient approximation for the exhange-correlation functional to investigate the unusual catalytic behavior of Ru under elevated gas pressure conditions for the…
High costs of green hydrogen and of carbon capture, utilization, and sequestration (CCUS) have hindered policy ambition and slowed real-world deployment, despite their importance for decarbonizing hard-to-abate sectors, including cement and…
We present a techno-economic optimization model for evaluating the design and operation of proton exchange membrane (PEM) electrolyzers, crucial for hydrogen production powered by variable renewable electricity. This model integrates a 0-D…
This study evaluates the techno-economic feasibility of supplying industrial thermal loads with green hydrogen produced via water electrolysis using two pathways off-grid systems powered by co-located wind turbines and battery energy…
The amount of electronic waste (e-waste) recycled worldwide is less than 20% of the total amount produced. In a world where the need for critical and strategic metals is increasing almost exponentially, it is unacceptable that tons of these…
Precious-metal-free spinel oxide electrocatalysts are promising candidates for catalyzing the oxygen reduction reaction (ORR) in alkaline fuel cells. In this theory-driven study, we use joint density-functional theory in tandem with…
Electrification of sectors such as land transport and building heating is a cost-effective pathway to deep decarbonization. However, some sectors still require energy-dense fuels -- including aviation, shipping and backup power -- or…
Effective usage of renewable energy requires ways of storage and delivery to balance energy demand and availability divergences. Carbon-free chemical energy carriers are proposed solutions, converting clean electricity into stable media for…
Catalysts for oxygen reduction and evolution reactions are at the heart of key renewable energy technologies including fuel cells and water splitting. Despite tremendous efforts, developing oxygen electrode catalysts with high activity at…
The escalating global issue of plastic waste accumulation, specifically polyolefins, necessitates an urgent solution for upcycling these materials into beneficial compounds. Yet, achieving such upcycling without introducing carbon dioxide…
Iron- and steelmaking cause ~7% of the global CO2 emissions, due to the use of carbon for the reduction of iron ores. Replacing carbon by hydrogen as the reductant offers a pathway to reduce emissions. However, production of hydrogen using…
This work realizes a three-dimensionally (3D) nanoarchitected, all organic, "self-separating" lithium-ion electrochemical energy storage (EES) device that is cycled as a solid-state full cell. The device is enabled by a monolithic carbon…