Efficient Kr/Xe separation from triangular g-C(3)N(4)nanopores, a simulation study

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Zeolitic imidazolate frameworks (ZIFs) are a subset of metal-organic frameworks with more than 200 characterized crystalline and amorphous networks made of divalent transition metal centres (for example, Zn2+ and Co2+) linked by imidazolate linkers. ZIF th ...

In this study, a protocol for synthesising beta-C2S using K2SO4 as a dopant has been reported. Quantitative X-Ray diffraction was used to characterise synthesised samples. It was observed that it is possible to synthesise beta-C2S with high purity (>96 wt% ...

Because of the compatibility with tandem devices and the ability to be manufactured at low temperatures, inverted perovskite solar cells have generated far-ranging interest for potential commercial applications. However, their efficiency remains inadequate ...

The need for efficient and selective catalysts, capable of driving important conversions to build a more sustainable society, encourages the development of synthetic approaches towards new nanomaterials. Cu-based bimetallic nanoparticles (NPs) promise to f ...

Group 9 metals, in particular Rh III complexes with cyclopentadienyl ligands, are competent C–H activation catalysts. Recently, a Cp*Rh III catalyzed reaction of alkenes with N -enoxyphthalimides showed divergent outcome based on the solvent, with carboami ...

In the last decades, the femtosecond laser micromachining of glass has attracted a lot of attention due to its three-dimensional manufacturing ability and flexibility both in terms of compatible substrates and modification types. Yet, to fully unravel its ...

DNA nanotechnology has emerged as a promising method for designing spontaneously inserting and fully controllable synthetic ion channels. However, both insertion efficiency and stability of existing DNA-based membrane channels leave much room for improveme ...

Predictive modeling of two-dimensional (2D) materials is at the crossroad of two current rapidly growing interests: 2D materials per se, massively sought after and explored in experimental laboratories, and materials theoretical-computational models in gen ...

Rechargeable sodium (Na) metal batteries (SMBs) provide an alternative energy-dense, low-cost energy storage system beyond prevailing Li-ion technologies. However, their practical deployment requires the performance evaluation of Na anodes on the device le ...

Despite remarkable progress made in recent years, producing freeform three-dimensional micro-components out of copper, silver or gold and their alloys remains an engineering challenge: current processes are either too slow to be economically viable, or pro ...

Helium gases are utilized to remove fission products from the molten salt fast reactor (MSFR) core during operation. Helium gases and other volatile fission products may be introduced into the intermediate heat exchanger channels. The effect of these gases ...

Alkylidene ketenes typically display high intrinsic reactivity, impeding isolation on a preparative scale. Herein, we report the synthesis of alkylidene ketenes by reaction of imidazole-based diazoolefins with carbon monoxide. The good thermal stability of ...

Due to the highly complex polyphenolic structure of lignin, depolymerization without a prior chemical treatment is challenging, and new catalysts are required. Atomically dispersed catalysts are able to maximize the atomic efficiency of noble metals, simul ...

The relationship between composition and plasmonic properties in noble metal nanoalloys is still largely unexplored. Yet, nanoalloys of noble metals, such as gold, with transition elements, such as iron, have unique properties and a number of potential app ...

Machine learning encompasses tools and algorithms that are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as well, where machine learning offers promises of extracting valuable information from t ...

For an energy source to qualify as sustainable, it must maximize the efficiency with which it uses natural resources while minimizing the amounts of waste it produces. Currently deployed nuclear power plants however use a very limited amount of the energy ...

In this work, a detailed study is conducted to understand how ligand substitution influences the CO, and N-2 adsorption properties of two highly crystalline sodalite metal-organic frameworks (MOFs) known as Cu-BTT (BTT-3 = 1,3,5-benzenetristetrazolate) and ...

In this work, we report the synthesis of SION-8, a novel metal-organic framework (MOF) based on Ca(II) and a tetracarboxylate ligand TBAPy(4-) endowed with two chemically distinct types of pores characterized by their hydrophobic and hydrophilic properties ...

A method based on molecular dynamics simulations which employ two distinct levels of theory is proposed and tested for the prediction of Gibbs free energies of solvation for non-ionic solutes in water. The method consists of two additive contributions: (i) ...

A continuous improvement of resolution in mask-aligner lithography is sought after to meet the requirements of an ever decreasing minimum feature size in back-end processes. For periodic structures, utilizing the Talbot effect for lithography has emerged a ...

Efficient Kr/Xe separation from triangular g-C(3)N(4)nanopores, a simulation study

Chattez avec Graph Search

Unit-cell-thick zeolitic imidazolate framework films for membrane application

Characterisation and hydration kinetics of beta-C2S synthesised with K2SO4 as dopant

N-Type Conductive Small Molecule Assisted 23.5% Efficient Inverted Perovskite Solar Cells

Galvanic replacement reactions of Ga and In with Cu for the synthesis of bimetallic nanoparticles

Mapping Catalyst‐Solvent Interplay in Competing Carboamination/Cyclopropanation Reactions

Investigation of femtosecond laser-enabled 3D micro-infiltration processes

Membrane Activity of a DNA-Based Ion Channel Depends on the Stability of Its Double-Stranded Structure

Theoretical Prediction of Two-Dimensional Materials, Behavior, and Properties

SnSb binary alloy induced heterogeneous nucleation within the confined nanospace: Toward dendrite-free, flexible and energy/power dense sodium metal batteries

3D metal freeform micromanufacturing

Interface Tracking Investigation of the Sliding Bubbles Effects on Heat Transfer in the Laminar Regime

Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes

Anchoring single platinum atoms onto nickel nanoparticles affords highly selective catalysts for lignin conversion

Electronic Structure-Dependent Surface Plasmon Resonance in Single Au-Fe Nanoalloys

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Conceptual Design of a Sustainable Waste Burning Molten Salt Reactor

Understanding How Ligand Functionalization Influences CO2 and N-2 Adsorption in a Sodalite Metal-Organic Framework

Biporous Metal-Organic Framework with Tunable CO2/CH4 Separation Performance Facilitated by Intrinsic Flexibility

Prediction of aqueous free energies of solvation using coupled QM and MM explicit solvent simulations

Printing sub-micron structures using Talbot mask-aligner lithography with a 193 nm CW laser light source