How strong is the hydrogen bond in hybrid perovskites?
Hybrid organic–inorganic perovskites represent a special class of metal–organic framework
where a molecular cation is encased in an anionic cage. The molecule–cage interaction …
where a molecular cation is encased in an anionic cage. The molecule–cage interaction …
Plane-wave density functional theory meets molecular crystals: thermal ellipsoids and intermolecular interactions
Conspectus Molecular compounds, organic and inorganic, crystallize in diverse and
complex structures. They continue to inspire synthetic efforts and “crystal engineering”, with …
complex structures. They continue to inspire synthetic efforts and “crystal engineering”, with …
Quenching of photoluminescence in a Zn-MOF sensor by nitroaromatic molecules
We uncover the exact mechanisms that lead to a quenching of the photoluminescence in a
Zn-based metal organic framework (MOF) material upon nitroaromatic molecule adsorption …
Zn-based metal organic framework (MOF) material upon nitroaromatic molecule adsorption …
First-principles property assessment of hybrid formate perovskites
Hybrid organic–inorganic formate perovskites, AB (HCOO) 3, are a large family of
compounds that exhibit a variety of phase transitions and diverse properties, such as (anti) …
compounds that exhibit a variety of phase transitions and diverse properties, such as (anti) …
Electron paramagnetic resonance and electric characterization of a [CH 3 NH 2 NH 2][Zn (HCOO) 3] perovskite metal formate framework
M Šimėnas, S Balčiūnas, M Trzebiatowska… - Journal of Materials …, 2017 - pubs.rsc.org
We present a combined continuous-wave (CW) and pulse electron paramagnetic resonance
(EPR), pulse electron-nuclear double resonance (ENDOR), pyrocurrent as well as …
(EPR), pulse electron-nuclear double resonance (ENDOR), pyrocurrent as well as …
Candidate photoferroic absorber materials for thin-film solar cells from naturally occurring minerals: enargite, stephanite, and bournonite
To build on the success of other mineral systems employed in solar cells, including
kesterites (Cu2ZnSnS4) and herzenbergite (SnS), as well as mineral-inspired systems such …
kesterites (Cu2ZnSnS4) and herzenbergite (SnS), as well as mineral-inspired systems such …
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C 2 H 5 NH 3] Na 0.5 Cr 0.5 (HCOO) 3 metal–organic framework
We report the high-pressure structure-related properties of a ferroelectric heterometallic
formate perovskite framework templated by the ethylammonium cation (CH3CH2NH3+ …
formate perovskite framework templated by the ethylammonium cation (CH3CH2NH3+ …
Lattice thermal expansion and anisotropic displacements in urea, bromomalonic aldehyde, pentachloropyridine, and naphthalene
Anisotropic displacement parameters (ADPs) are commonly used in crystallography,
chemistry, and related fields to describe and quantify thermal motion of atoms. Within the …
chemistry, and related fields to describe and quantify thermal motion of atoms. Within the …
Structural, Electrical, and Electromechanical Properties of Inverse Hybrid Perovskites from First-Principles: The Case of (CH3NH3)3OI
Inverse-hybrid perovskites (IHPs) with large polarization have recently been predicted from
first-principles computations. We use one representative from the IHP class of …
first-principles computations. We use one representative from the IHP class of …
Structures and elastic properties of 1, 2, 4-triazolium magnesium hypophosphite hybrid perovskite
LS Li, WJ Wei, HQ Gao, YH Tan - Journal of Applied Physics, 2021 - pubs.aip.org
A new family of hypophosphite-based ABX 3 hybrid perovskite has caused a widespread
range of attentions due to their structural diversity, phase transition, and magnetic and …
range of attentions due to their structural diversity, phase transition, and magnetic and …