Article
Materials Science, Multidisciplinary
M. Hoffmann, K. Dey, J. Werner, R. Bag, J. Kaiser, H. Wadepohl, Y. Skourski, M. Abdel-Hafiez, S. Singh, R. Klingeler
Summary: High-quality single crystals of CoTiO3 were used to study the structural and magnetostructural effects in detail, revealing strong magnetoelastic coupling in high magnetic fields. The hydrostatic pressure dependency on the antiferromagnetic ordering temperature was analyzed, and the complete anisotropic magnetic phase diagram of CoTiO3 was constructed using high-field magnetization studies. Results show significant magnetodielectric coupling and the influence of magnetism on structural, dielectric, and magnetic changes in both short-range and long-range ordered phases.
Article
Materials Science, Multidisciplinary
Avantika Hasija, Subham Ranjan, Sarah Guerin, S. R. N. Kiran Mangalampalli, Satoshi Takamizawa, Deepak Chopra
Summary: This article introduces a polymorphic organic salt that exhibits both thermoresponsive and mechanoresponsive behavior at different temperatures. The study reveals that the single crystalline form of this salt displays reversible phase transformation, shape memory effect, and mechanical flexibility. By conducting experiments and calculations, the research reveals the differences in elastic modulus and resistance to elastic deformation among different forms of the salt.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Palmerina Gonzalez-Izquierdo, Oscar Fabelo, Laura Canadillas-Delgado, Garikoitz Beobide, Oriol Vallcorba, Jorge Salgado-Beceiro, Manuel Sanchez-Andujar, Carmen Martin, Javier Ruiz-Fuentes, Jose Eduardo Garcia, Maria Teresa Fernandez-Diaz, Imanol de Pedro
Summary: Quinuclidinium salts and their derivatives are being focused on in materials science as building blocks for multifunctional materials due to their easily switchable properties. This study investigated the synthesis and physical properties of a homochiral hybrid halometallate ferroelectric compound using (R)-(-)-3-quinuclidinol hydrochloride. Through various diffraction techniques, the compound showed a series of structural and magnetic phase transitions at different temperatures, revealing unique magnetic structures and ferroelectric behaviors.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Yankuan Wei, Xincheng Xu, Xuesong Yang, Hongyu Zhang
Summary: This study reports a model involving a compound similar to phenylacetonitrile, which reveals the existence of two crystalline phases with different mechanical properties. These crystals exhibit temperature-dependent spectral variations and can be used for precise temperature measurements. The experiments also validate their performance as optical waveguides.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Xin Mu, Lei Xu, Yi-Yi Xu, Han-Yue Zhang, Ren-Gen Xiong
Summary: Rochelle salt, as the initiator of piezoelectrics and ferroelectrics, can greatly increase the construction rate of non-centrosymmetric or even polar materials by using enantiomeric components. The combination of photoisomerization and piezoelectricity may support further exploration of optically-controlled smart devices for multi-channel information encryption and signal detection.
MATERIALS CHEMISTRY FRONTIERS
(2021)
Review
Chemistry, Multidisciplinary
Bibhuti Bhusan Rath, Jagadese J. Vittal
Summary: CPs have emerged as relatively new crystalline materials with great potential in the field of mechanical properties, showing promise as leading candidates for multifunctional actuating materials.
Article
Chemistry, Physical
Bibhuti Bhusan Rath, Mayank Gupta, Jagadese J. Vittal
Summary: The rational combination of suitable functionalities in single crystalline materials has led to the development of multistimuli-receptive actuators. The one-dimensional coordination polymer fabricated in this study displays all dynamic effects of photo-, thermo-, and mechano-responsiveness, paving the way for designing multisalient actuating materials.
CHEMISTRY OF MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Enda Xiao, Hao Ma, Matthew S. Bryan, Lyuwen Fu, J. Matthew Mann, Barry Winn, Douglas L. Abernathy, Raphael P. Hermann, Amey R. Khanolkar, Cody A. Dennett, David H. Hurley, Michael E. Manley, Chris A. Marianetti
Summary: Phonon lifetimes are crucial in quasiparticle theories of transport, but direct comparisons with inelastic neutron scattering results reveal the importance of accounting for the reciprocal space voxel. Accurate prediction of peak widths of the scattering function when considering the q voxel in CaF2 and ThO2 demonstrates high fidelity in phonon interactions and Green's function calculations, serving as a critical benchmark for theory. This implies that accurately predicting other material properties, as demonstrated for thermal conductivity, is feasible.
Article
Materials Science, Multidisciplinary
Ryota Masuki, Takuya Nomoto, Ryotaro Arita, Terumasa Tadano
Summary: In this study, a theory of thermal expansion based on the self-consistent phonon (SCP) theory is formulated, taking into account the anharmonic effect. The Gruneisen formula is shown to hold within the SCP theory by replacing the phonon frequency. By comparing with the quasiharmonic approximation (QHA), explicit formulas for the correction to the QHA result are derived. It is found that the phonon anharmonicity has a small correction to the thermal expansion coefficient alpha, but has comparable corrections to the temperature-dependent phonon frequency shift.
Article
Chemistry, Multidisciplinary
Prasenjit Giri, Abhrojyoti Mazumder, Dibyendu Dey, Souvik Garani, Anju Raveendran, Manas K. Panda
Summary: The new green fluorescent organic crystal displays various macroscopic responses under UV light, with shape deformation and actuation controlled by specific parts of the crystal and the direction of illumination. Experimental evidence suggests that the light-fueled macroscopic actuation of the E-ArF2 crystal is rooted in the combined effect of E-to-Z isomerization and [2 + 2] cycloaddition reaction in the solid state. A general mechanistic model of the actuation is proposed based on the experimental findings.
Article
Nanoscience & Nanotechnology
Ifayoyinsola A. Ibikunle, Yuhan Yang, Nichole R. Valdez, Mark A. Rodriguez, Jacob A. Harvey, Dorina F. Sava Gallis, David S. Sholl
Summary: Several studies suggest that metal ordering within metal-organic frameworks (MOFs) is important for understanding the behavior of MOFs in applications. This study used density functional theory (DFT) calculations to investigate metal siting trends in bimetallic MOFs composed of Nd and Yb metal atoms. The results suggest that Nd tends to occupy sites with greater access to electronegative atoms, and local homometallic domains within a mixed-metal Nd-Yb system are favored. The study also explored the feasibility of using less computationally extensive methods for large system sizes.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Multidisciplinary Sciences
Xiaojiao Liu, Adam A. L. Michalchuk, Biswajit Bhattacharya, Nobuhiro Yasuda, Franziska Emmerling, Colin R. Pulham
Summary: Mechanically flexible single crystals are promising materials for advanced technological applications. The study on the high-pressure response of a plastically flexible coordination polymer provides indication of an overall disparate mechanical response of bulk flexibility and quasi-hydrostatic compression within the same crystal lattice.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Wei-Jian Xu, Konstantin Romanyuk, Ying Zeng, Andrei Ushakov, Vladimir Shur, Alexander Tselev, Wei-Xiong Zhang, Xiao-Ming Chen, Andrei Kholkin, Joao Rocha
Summary: The study investigated a high-temperature multiaxial perovskite ferroelectric material TMC-4, which exhibits notable piezoelectricity and spontaneous polarization during a bond-switching phase transition. The research provides insights into the multiaxial ferroelectricity of TMC-4 at the microscopic level, enabling its further utilization in device applications.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Nanoscience & Nanotechnology
H. L. B. Bostrom, S. Bette, S. T. Emmerling, M. W. Terban, B. Lotsch
Summary: This study investigates the thermal expansion of the metal-organic framework (MOF) PCN-222 using powder X-ray diffraction under variable temperature. The results show that the thermal expansion increases significantly with more aggressive heating, attributed to enhanced flexibility after guest removal. Furthermore, the thermal response exhibits strong temperature dependence, with a nearly quadruple volumetric expansivity and a change in the expansion direction along c upon cooling. These findings highlight the high flexibility of MOFs and the significance of guest species.
Article
Physics, Multidisciplinary
Qilong Gao, Yixin Jiao, Gang Li
Summary: Exploring new abnormal thermal expansion materials is important to understand the nature of thermal expansion. Metal-organic framework (MOF) with unique structure flexibility is an ideal material to study the thermal expansion. This work investigates the structure and intrinsic thermal expansion in Sr-MOF using high-resolution variable-temperature powder x-ray diffraction. The study reveals that the thermal expansion behavior has a strong relationship with the structure of the material.
Article
Chemistry, Multidisciplinary
Durgam Sharada, Viswanadha G. Saraswatula, Binoy K. Saha
CRYSTAL GROWTH & DESIGN
(2018)
Article
Chemistry, Multidisciplinary
Arijit Saha, Sumair A. Rather, Durgam Sharada, Binoy K. Saha
CRYSTAL GROWTH & DESIGN
(2018)
Article
Chemistry, Multidisciplinary
Ranjit Thakuria, Naba K. Nath, Binoy K. Saha
CRYSTAL GROWTH & DESIGN
(2019)
Article
Chemistry, Multidisciplinary
Arka Banerjee, Arijit Saha, Binoy K. Saha
CRYSTAL GROWTH & DESIGN
(2019)
Correction
Chemistry, Multidisciplinary
Arka Banerjee, Arijit Saha, Binoy K. Saha
CRYSTAL GROWTH & DESIGN
(2019)
Article
Chemistry, Multidisciplinary
Ragima V. P. Veluthaparambath, Arijit Saha, Binoy K. Saha
Summary: Cone and distance-cone corrected statistical analyses were carried out on X-C...O tetrel bonds, showing different angular preferences and CO distances influenced by various X atoms. Pi-hole interactions exhibit a higher preference for specific angles, while O=C...O interactions favor an angle of approximately 90 degrees.
Review
Chemistry, Multidisciplinary
Binoy K. Saha, Naba K. Nath, Ranjit Thakuria
Summary: Polymorphism is a common phenomenon in crystals, where different crystal structures of the same compound lead to significant changes in materials properties. It is difficult to control polymorphism due to the close energy levels between different polymorphic forms. Polymorphism is not only of interest to academia but also has widespread applications in materials science and pharmaceutical industries.
Article
Chemistry, Multidisciplinary
Ragima V. P. Veluthaparambath, Vibha Krishna G, Pattath D. Pancharatna, Binoy K. Saha
Summary: This study investigates the bending properties of three different crystal structures of 4-iodobenzonitrile, 4-bromobenzonitrile, and one form of 4-chlorobenzonitrile. The presence of halogen-bonded chains and the different alignments of these chains contribute to the brittleness or flexibility of the crystals. The C-I···N C bond is found to be the strongest among the three halogen bonds, explaining the brittleness of 4-iodobenzonitrile.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
(2022)
Review
Chemistry, Multidisciplinary
Binoy K. Saha, Ragima V. P. Veluthaparambath, Vibha G. Krishna
Summary: Halogen interaction is a controversial and important topic in crystal engineering and supramolecular chemistry, involving F, Cl, Br, and I. Lighter and heavier halogens behave differently, and the nature of the interaction depends on the atom covalently bonded to the halogens. This review discusses different types of homo-halogen, hetero-halogen, and halogen-halide interactions, their natures, preferred geometries, as well as various motifs and interchangeability with other functional groups. The review also mentions important applications of halogen interactions.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Sumair A. Rather, Binoy K. Saha
Summary: The crystal structures of Cu(acac)(2) and 9,10-anthraquinone exhibit elastic bending and thermal expansion mechanisms have been correlated with bending mechanism. This idea was used to postulate the bending mechanism in a 9,10-anthraquinone crystal from a thermal expansion study.
Article
Chemistry, Multidisciplinary
Arijit Saha, Ragima V. P. Veluthaparambath, Binoy K. Saha
NEW JOURNAL OF CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Sumair A. Rather, Viswanadha G. Saraswatula, Durgam Sharada, Binoy K. Saha
NEW JOURNAL OF CHEMISTRY
(2019)
Article
Chemistry, Multidisciplinary
Durgam Sharada, Arijit Saha, Binoy K. Saha
NEW JOURNAL OF CHEMISTRY
(2019)
Article
Chemistry, Multidisciplinary
Binoy K. Saha, Arijit Saha, Durgam Sharada, Sumair A. Rather
CRYSTAL GROWTH & DESIGN
(2018)
Article
Chemistry, Multidisciplinary
Viswanadha G. Saraswatula, Durgam Sharada, Binoy K. Saha
CRYSTAL GROWTH & DESIGN
(2018)