A new method was developed for the discovery of fundamental descriptors for gas adsorption through deep learning neural network (DNN) approach. This approach has great potential to identify structural parameters for gas adsorption.
A two‐step topotactic pathway for the preparation of phosphabenzene‐based porous organic polymers (POPs) under metal‐free conditions was achieved without the use of unstable phosphorus‐based monomers.
The elusive interfacial chemistry underlying solvent extraction has been mapped in real time using nonlinear laser spectroscopy
By combining the classic anion receptor calix[4]pyrrole (C4P) and a phenolic ligand, a remarkable enhancement in selectivity was found for Cs+ over Na+, which was confirmed by crystal structures and ab initio molecular dynamics (AIMD), which sh
A new strategy to design strong metal-support interaction via a reverse route (SMSIR) is reported by starting from the final fully encapsulation, core-shell structure and treating it to obtain an intermediate state with favorable exposure of metal sites
The element lithium has all kinds of uses on Earth: in lithium-ion batteries, in heat-resistant glass and ceramics, and in certain medications that psychiatrists prescribe.
We developed a new method, named subspace-projected coupled-cluster, that approximates ab-initio computations of nuclei.
The magnetic properties of CsYbSe2 crystal indicate its candidacy for a quantum spin liquid (QSL) ground state.
By correlating electron microscopy and atom probe tomography (APT) with simulations, researchers revealed irradiation-induced chemical segregation and laid the foundation for APT nanovoid imaging.
Overlapping high energy irradiation events result in local heating of the lattice and annealing of defects created from previous events and defects due to the current event, suppressing the accumulation of displaced atoms and the formation of large vaca