Machine-learning-assisted materials discovery using failed experiments
Inorganic–organic hybrid materials,, such as organically templated metal oxides, metal–
organic frameworks (MOFs) and organohalide perovskites have been studied for decades …
organic frameworks (MOFs) and organohalide perovskites have been studied for decades …
[HTML][HTML] Predicting inorganic dimensionality in templated metal oxides
Q Ai, DM Williams, M Danielson, LG Spooner… - The Journal of …, 2021 - pubs.aip.org
Amine-templated metal oxides are a class of hybrid organic–inorganic compounds with
great structural diversity; by varying the compositions, 0D, 1D, 2D, and 3D inorganic …
great structural diversity; by varying the compositions, 0D, 1D, 2D, and 3D inorganic …
[NaCl][Cu(HSeO3)2], NaCl-intercalated Cu(HSeO3)2: synthesis, crystal structure and comparison with related compounds
VM Kovrugin, SV Krivovichev, O Mentré… - Zeitschrift für …, 2015 - degruyter.com
Abstract Single crystals of [NaCl][Cu (HSeO3) 2] have been prepared by the chemical vapor
transport reactions. Its crystal structure (monoclinic, C 2/c, a= 13.9874 (7), b= 7.2594 (4), c …
transport reactions. Its crystal structure (monoclinic, C 2/c, a= 13.9874 (7), b= 7.2594 (4), c …
Predicting compositional changes of organic–inorganic hybrid materials with Augmented CycleGAN
Despite its simplicity, the composition of a material can be used as input to machine learning
models to predict a range of materials properties. However, many property optimization …
models to predict a range of materials properties. However, many property optimization …
Understanding structural adaptability: a reactant informatics approach to experiment design
RJ Xu, JH Olshansky, PDF Adler, Y Huang… - … Systems Design & …, 2018 - pubs.rsc.org
The structural and electronic adaptability ranges of a [VO (SeO3)(HSeO3)] framework found
in organically templated vanadium selenites were determined using a three step approach …
in organically templated vanadium selenites were determined using a three step approach …
The first organically templated open-framework metal-sulfites with layered and three-dimensional diamondoid structures
The crystallographic signatures and characterization data of two novel organically templated
open-framework zinc-sulfites (NH3CH2CH2NH3)[Zn3 (SO3) 4], 1, and (CN3H6) 2 [Zn (SO3) …
open-framework zinc-sulfites (NH3CH2CH2NH3)[Zn3 (SO3) 4], 1, and (CN3H6) 2 [Zn (SO3) …
Probing structural adaptability in templated vanadium selenites
The structural adaptability of [V 3 O 5 (SeO 3) 3] n 2 n− layers in organically templated
vanadium selenites was determined using a three step approach involving (i) an 84 reaction …
vanadium selenites was determined using a three step approach involving (i) an 84 reaction …
Templated vanadium tellurites: Identifying the effects of low density attractions on inorganic layer topology
Exploration of the NH 4 VO 3/Na 2 TeO 3/2, 4, 6-triaminopyrimidine/H 2 O system yielded the
formation of two new phases,[C 4 H 8 N 5][VO 3] and [C 4 H 8 N 5] 2 [V 2 Te 2 O 10]. Phase …
formation of two new phases,[C 4 H 8 N 5][VO 3] and [C 4 H 8 N 5] 2 [V 2 Te 2 O 10]. Phase …
The role of inorganic acidity on templated vanadate composition and dimensionality
Compositional and structural differences in two organically templated vanadate compounds
are directly ascribed to the acidity of the primary building units from which they are …
are directly ascribed to the acidity of the primary building units from which they are …
Mild Synthesis and Structural Characterization of a Novel Vanadyl Selenite-Hydrogen Selenite Phase, Na[VO(SeO3)(HSeO3)]·1,5H2O
Single crystals of Na [VO (SeO3)(HSeO3)]· 1, 5H2O have been prepared by solvent slow
evaporation from an equimolar aqueous mixture of sodium selenite and vanadyl sulfate. The …
evaporation from an equimolar aqueous mixture of sodium selenite and vanadyl sulfate. The …