Screening of Excitons by Organic Cations in Quasi-Two-Dimensional Organic–Inorganic Lead-Halide Perovskites
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This work quantifies the core–shell structure of nano-confined CO 2 molecules under pressure in silica pores using in operando small-angle neutron scattering (SANS) measurements and molecular dynamics simulations.
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We describe the synthesis and structure of a charged unique 4-fold interpenetrated MOF constructed from a new dicationic Robson-type dicarboxylate linker and a 4-connected In 3+ node.
To identify the genesis of the differing magnetic behaviors for the ferro- (FO) and metamagnetic (MM) polymorphs of [FeCp* 2 ][TCNQ] the low temperature structures of each polymorph were determined from high-resolution synchrotron powder diffraction data.
Machine learned interatomic potentials (MLIPs) are reshaping computational chemistry practices because of their ability to drastically exceed the accuracy-length/time scale tradeoff.
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