crystalline material
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Author(s):  
Syed Rashedul Islam ◽  
Md. Mehedi Hasan ◽  
Xiaolin Shen ◽  
Tayyab Naveed ◽  
Mohammed Kayes Patoary ◽  
...  

2022 ◽  
Vol 12 (1) ◽  
Author(s):  
Gianfranco Ulian ◽  
Giovanni Valdrè

AbstractCalcite (CaCO3, trigonal crystal system, space group $$R\overline{3}c$$ R 3 ¯ c ) is a ubiquitous carbonate phase commonly found on the Earth’s crust that finds many useful applications in both scientific (mineralogy, petrology, geology) and technological fields (optics, sensors, materials technology) because of its peculiar anisotropic physical properties. Among them, photoelasticity, i.e., the variation of the optical properties of the mineral (including birefringence) with the applied stress, could find usefulness in determining the stress state of a rock sample containing calcite by employing simple optical measurements. However, the photoelastic tensor is not easily available from experiments, and affected by high uncertainties. Here we present a theoretical Density Functional Theory approach to obtain both elastic and photoelastic properties of calcite, considering realistic experimental conditions (298 K, 1 atm). The results were compared with those available in literature, further extending the knowledge of the photoelasticity of calcite, and clarifying an experimental discrepancy in the sign of the p41 photoelastic tensor component measured in past investigations. The methods here described and applied to a well-known crystalline material can be used to obtain the photoelastic properties of other minerals and/or materials at desired pressure and temperature conditions.


2021 ◽  
Vol 9 ◽  
Author(s):  
Ya-Ya Sun ◽  
Yan-Jiang Wang ◽  
Qiu Pi ◽  
Ya-Pan Wu ◽  
Xue-Qian Wu ◽  
...  

Engineering the heterogeneous interface fusing MOFs and inorganic active component is an effective strategy to improve the electrochemical performance. Herein, we report a new Ni3-based MOF (denoted as CTGU-24) with an infrequent two-fold interpenetrating 3D (3,8)-connected network constructed from Ni(II) trimer and mixed tripodal tectonics for the electrocatalytic methanol oxidation reaction (MOR). In order to improve its stability and activities, the heterogeneous hybrid CTGU-24@NiOOH has been fabricated successfully via the first preparation of the NiOOH nanosphere and then in situ formation of CTGU-24 decorated on the NiOOH surface. Moreover, the integration of CTGU-24@NiOOH and different additives [acetylene black (AB) and ketjen black (KB)], resulting in the optimized hybrid sample AB&CTGU-24@NiOOH (4:4). It attains better MOR performance with an area-specific peak current density of 34.53 mA·cm−2 than pure CTGU-24 (14.99 mA·cm−2) and improved durability in an alkali medium. The new findings indicate that the CTGU-24@NiOOH heterostructure formed in situ and the integration of moderate additives are critical to optimizing and improving electrocatalytic activity of pure MOF crystalline material.


Author(s):  
Xinting Wang ◽  
Wenjia Mao ◽  
Yingjie Song ◽  
Fanxing Meng ◽  
Xiaoli Hu ◽  
...  

Author(s):  
Jurakulova N.X. ◽  

Filtered culture fluids of the Stachybotrys chartarum strain were exhaustively extracted with ethyl acetate. The iso lated red residue was subjected to column chro matography (silica gel) with gradient elution, resulting in 2 different fractions. Fraction 1-2 consisted of a crystalline material that showed the same parameters of 1H and 13C as the parameters of staxibotrilaktam and staxibotrilaktam А, a derivative of driman's sesquiterpenoid. The structure proposed for this compound was based on spectroscopic data and no indication of the configuration of stereogenic carbon atoms was obtained. The fungus was produced mainly stachybotrys fully characterized derived sesquiterpenoid of drimana.


2021 ◽  
Vol 7 (10) ◽  
pp. 138
Author(s):  
Gabriela Handzlik ◽  
Katarzyna Rzepka ◽  
Dawid Pinkowicz

The effective combination of chirality and magnetism in a single crystalline material can lead to fascinating cross-effects, such as magneto–chiral dichroism. Among a large variety of chiral ligands utilized in the design and synthesis of chiral magnetic materials, helicenes seem to be the most appealing ones, due to the exceptionally high specific rotation values that reach thousands of deg×cm3×g−1×dm−1, which is two orders of magnitude higher than for compounds with chiral carbon atoms. Despite the sizeable family of transition metal complexes with helicene-type ligands, there are only a few examples of such complexes with lanthanide ions. In this mini-review, we describe the most recent developments in the field of lanthanide-based complexes with helicene-type ligands and summarize insights regarding the further exploration of this family of compounds towards multifunctional chiral lanthanide single molecule magnets (Ln-SMMs).


Molecules ◽  
2021 ◽  
Vol 26 (18) ◽  
pp. 5503
Author(s):  
Elena Bartolomé ◽  
Ana Arauzo ◽  
Sergio Herce ◽  
Anna Palau ◽  
Narcis Mestres ◽  
...  

The synthesis of a terbium-based 2D metal–organic framework (MOF), of formula [Tb(MeCOO)(PhCOO)2] (1), a crystalline material formed by neutral nanosheets held together by Van der Waals interactions, is presented. The material can be easily exfoliated by sonication and deposited onto different substrates. Uniform distributions of Tb-2D MOF flakes onto silicon were obtained by spin-coating. We report the luminescent and magnetic properties of the deposited flakes compared with those of the bulk. Complex 1 is luminescent in the visible and has a sizeable quantum yield of QY = 61% upon excitation at 280 nm. Photoluminescence measurements performed using a micro-Raman set up allowed us to characterize the luminescent spectra of individual flakes on silicon. Magnetization measurements of flakes-on-silicon with the applied magnetic field in-plane and out-of-plane display anisotropy. Ac susceptibility measurements show that 1 in bulk exhibits field-induced slow relaxation of the magnetization through two relaxation paths and the slowest one, with a relaxation time of τlf ≈ 0.5 s, is assigned to a direct process mechanism. The reported exfoliation of lanthanide 2D-MOFs onto substrates is an attractive approach for the development of multifunctional materials and devices for different applications.


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