相关论文: Active photocatalysts for CO2 conversion by severe…
The urgent need to mitigate rising atmospheric CO2 levels motivates the search for stable, efficient, and tunable adsorbent materials. In this study, we employ first-principles density functional theory to investigate the adsorption of CO2…
To overcome current serious energy and environmental issues, photocatalytic water splitting holds great promise because it requires only solar energy as an energy input to produce hydrogen. Two-dimensional (2D) semiconductors and…
The synthesis of solar methanol through direct CO2 hydrogenation using solar energy is of great importance in advancing a sustainable energy economy. In this study, non-precious NiZn intermetallic/ZnO catalyst is reported to catalyze the…
To enhance the activity of photocatalysts for hydrogen production and CO2 conversion, noble metal cocatalysts as electron traps and/or acceptors such as platinum or gold are usually utilized. This study hypothesizes that mixing elements…
We develop a new 1D photochemical kinetics code to address stratospheric chemistry and stratospheric heating in hot Jupiters. Here we address optically active S-containing species and CO2 at 1200 < T < 2000 K. HS (mercapto) and S2 are…
Direct conversion of carbon dioxide (CO2) to high-energy fuels and high-value chemicals is a fascinating sustainable strategy. For most of the current electrocatalysts for CO2 reduction, however, multi-carbon products are inhibited by large…
Nanostructured catalysts have attracted the increased attention for biomass conversion into high-valued chemicals due to the rapid depletion of fossil resources and increasingly severe environmental issues. Supercritical carbon dioxide…
Surface states refer to electronic states emerging as a solid material terminates at a surface, and can be present in many systems. Despite their spatial proximity to material surfaces, surface states have been largely overlooked in…
In this experimental study, a flowing dielectric barrier discharge operating at atmospheric pressure is used for the splitting of CO2 into O2 and CO. The influence of the applied frequency and plasma power on the microdischarge properties…
Using CoOx thin films supported on Au(111) single crystal surfaces as model catalysts for the CO oxidation reaction we show that three reaction regimes exist in response to chemical and topographic restructuring of the CoOx catalyst as a…
Hydrogen is deemed as an attractive energy carrier alternative to fossil fuels, and it is required to store for many applications. Physisorption is one of the promising ways to store H$_2$ for its practical applications. Covalent Organic…
Wires of sp-hybridized carbon atoms are attracting interest for both fundamental aspects of carbon science and for their appealing functional properties. The synthesis by physical vapor deposition has been reported to provide sp-rich carbon…
Over the past decade, climate change has become an increasing problem with one of the major contributing factors being carbon dioxide (CO2) emissions; almost 51% of total US carbon emissions are from factories. Current materials used in CO2…
Photo-induced phase-transitions (PIPTs) driven by highly cooperative interactions are of fundamental interest as they offer a way to tune and control material properties on ultrafast timescales. Due to strong correlations and interactions,…
Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps to carburization of metal. Here, we use density functional theory total energy calculations with the climbing-image nudged elastic band method to…
Optically transparent thermal loss mitigators have recently seen renewed research interests owing to their increasing relevance in the realms ranging from smart windows, efficient greenhouse designs and high-performance-low-cost solar…
Photocatalytic nitrogen reduction under ambient conditions represents a promising pathway toward sustainable ammonia production. However, the fundamental mechanisms, particularly the role of photogenerated charge carriers and their…
Syngas conversion into higher alcohols represents a promising avenue for transforming coal or biomass into liquid fuels. However, the commercialization of this process has been hindered by the high cost, low activity, and inadequate…
The solid-state reaction C + H$_2$O $\rightarrow$ H$_2$CO was studied experimentally following the codeposition of C atoms and H$_2$O molecules at low temperatures. In spite of the reaction barrier and absence of energetic triggering, the…
All light has structure, but only recently it has become possible to construct highly controllable and precise potentials so that most laboratories can harness light for their specific applications. In this chapter, we review the emerging…