Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage

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This work presents a recommendation system for metal-organic frameworks (MOFs) inspired by online content platforms. By leveraging the unsupervised Doc2Vec model trained on document-structured intrinsic MOF characteristics, the model embeds MOFs into a hig ...

In the pursuit of a carbon-neutral chemical industry, minimizing fossil feedstock consumption while integrating renewable carbon sources is imperative. Surfactants, inherently amphiphilic, pose challenges in separation and recovery processes. Given their e ...

Hydrogen clathrate hydrates are ice-like crystalline substances in which hydrogen molecules are trapped inside polyhedral cages formed by the water molecules. Small cages can host only a single H-2 molecule, while each large cage can be occupied by up to f ...

Ammonia borane (AB) has been extensively studied as a solid-state hydrogen storage material. On the other hand, its reactivity with CO2 is still unclear, especially in the solid state. By carefully controlling the CO2 pressure and temperature, AB efficient ...

Electroreduction of nitrate to ammonia provides an interesting pathway for wastewater treatment and valorization. Cu-based catalysts are active for the conversion of NO3− to NO2− but suffer from an inefficient hydrogenation process of NO2−. Herein, CuxO/N- ...

The production of aluminium largely depends on the use of fossil fuels, resulting in the emission of significant amounts of greenhouse gases. As the aluminium industry is working towards decreasing its environmental burdens, the elimination of direct emiss ...

The combination of several interesting characteristics makes metal-organic frameworks (MOFs) a highly sought-after class of nanomaterials for a broad range of applications like gas storage and separation, catalysis, drug delivery, and so on. However, the e ...

Phonon anharmonicity plays a crucial role in determining the stability and vibrational properties of high-pressure hydrides. Furthermore, strong anharmonicity can render phonon quasiparticle picture obsolete questioning standard approaches for modeling sup ...

Pt(II)-based molecular catalysts stand as a prototypical system in hydrogen evolution reactions (HER) owing to their consistently elevated activity levels. Their integration into heterogeneous systems thus provides an ideal platform to develop catalytic ma ...

The rates of tropical deforestation remain high, resulting in carbon emissions, biodiversity loss, and impacts on local communities. To design effective policies to tackle this, it is necessary to know what the drivers behind deforestation are. Since drive ...

Affected by both future anthropogenic emissions and climate change, future prediction of PM2.5 and its Oxidative Potential (OP) distribution is a significant challenge, especially in developing countries like China. To overcome this challenge, we estimated ...

Globally, billions of people burn fuels indoors for cooking and heating, which contributes to millions of chronic illnesses and premature deaths annually. Additionally, residential burning contributes significantly to black carbon emissions, which have the ...

Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage

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Deep learning-based recommendation system for metal-organic frameworks (MOFs)

Design and Synthesis of Bio-based Amphiphiles from Lignocellulosic Biomass

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

Solvent- and catalyst-free reduction of CO2 with ammonia borane

In Situ Synthesis of CuxO/N Doped Graphdiyne with Pyridine N Configuration for Ammonia Production via Nitrate Reduction

CO2 Capture and Management Strategies for Decarbonizing Secondary Aluminium Production

Inverse design of metal-organic frameworks for direct air capture of CO2via deep reinforcement learning

Large impact of phonon lineshapes on the superconductivity of solid hydrogen

Photogeneration of Hydrogen: Insights from a Pt(II)-Complex Incorporated into a Covalent Organic Framework

Mapping drivers of tropical forest loss with satellite image time series and machine learning

Impact of anthropogenic emission control in reducing future PM2.5 concentrations and the related oxidative potential across different regions of China

Quantifying functional group compositions of household fuel-burning emissions