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Related publications (29)

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Metal organic frameworks and methods for using thereof

Paul Joseph Dyson, Berend Smit, Kyriakos Stylianou, Ngoc Tú Nguyên, Fatmah Ebrahim, Serhii Shyshkanov

The invention features metal-organic frameworks (MOFs) having a crystalline lattice comprising metallic nodes and organic ligands, wherein each organic ligand comprises a Lewis acidic or basic centre bound to N conjugated systems, wherein N is comprised be ...

2020

Deciphering crystal packing effects in the spin crossover of six [Fe-II(2-pic)(3)]Cl-2 solvatomorphs

Sergio Vela Llausi

In this work we investigate how the crystal packing affects the spin crossover (SCO) of [Fe-II(2-pic)(3)]Cl-2. Four alcohol solvatomorphs of this compound have been reported to present a transition from a singlet low spin (LS, S = 0) to a quintet high spin ...

ROYAL SOC CHEMISTRY2019

Embryonic lateral inhibition as optical modes: An analytical framework for mesoscopic pattern formation

Andrew Charles Oates, Jose Negrete Jr

Cellular checkerboard patterns are observed at many stages of embryonic development. We study an analytically tractable model for lateral inhibition and show that the steady states are analogous to optical phonons at the Gamma point, which have the wave nu ...

2019

Nontrivial evolution of the Sb(111) electronic and atomic structure after ion irradiation

Anton Smirnov

Defects in crystal structure of layered material can modify the surface states. Ion bombardment is a simple way to introduce defects into a crystal lattice in the surface region. Comprehensive scanning tunneling microscopy (STM), low-energy electron diffra ...

ELSEVIER SCIENCE BV2019

Stronger Reductive Environment in Solvothermal Synthesis Leads to Improved Ga Doping Efficiency in ZnO Nanocrystals and Enhanced Plasmonic Absorption

Reinis Ignatans

The key parameter for degenerated semiconductor oxide plasmonic nanocrystals is the doping level. Hydrothermal and solvothermal approaches are considered to be less effective toward achieving high concentration of aliovalent donor dopants in a host oxide w ...

Wiley-VCH Verlag2019

Nonempirical hybrid functionals for band gaps of inorganic metal-halide perovskites

Alfredo Pasquarello, Wei Chen, Julia Anna Wiktor, Thomas Bischoff

Nonempirical hybrid functionals are investigated for band-gap predictions of inorganic metal-halide perovskites belonging to the class CsBX3, with B = Ge, Sn, Pb and X = Cl, Br, I. We consider both global and range-separated hybrid functionals and determin ...

2019

Indirect tail states formation by thermal-induced polar fluctuations in halide perovskites

Michael Graetzel

Halide perovskites possess enormous potential for various optoelectronic applications. Presently, a clear understanding of the interplay between the lattice and electronic effects is still elusive. Specifically, the weakly absorbing tail states and dual em ...

Springer2019

Negative-pressure-induced helimagnetism in ferromagnetic cubic perovskites Sr1-xBaxCoO3

Henrik Moodysson Rønnow, Jonathan White

Helimagnetic materials are identified as promising for novel spintronic applications. Since helical spin order is manifested as a compromise of competing magnetic exchange interactions, its emergence is limited by unique constraints imposed by the crystall ...

2018

Band and Correlated Insulators of Cold Fermions in a Mesoscopic Lattice

Jean-Philippe Brantut

We investigate the transport properties of neutral, fermionic atoms passing through a one-dimensional quantum wire containing a mesoscopic lattice. The lattice is realized by projecting individually controlled, thin optical barriers on top of a ballistic c ...

American Physical Society2018