Article
Chemistry, Physical
Neelam Yadav, Yuri P. Panarin, Wanhe Jiang, Georg H. Mehl, Jagdish K. Vij
Summary: The achiral compound DIO, which exhibits three nematic phases, has been studied in confinement under different surface conditions using polarizing microscopy and electro-optics. The high temperature N phase shows optical activity and linear electro-optic response, which can be attributed to its polar nature. Chiral domains are formed due to spontaneous symmetry breaking caused by saddle-splay elasticity, leading to the formation of helical domains with opposite chirality. This is the first observation of helical segregation in calamitic non-chiral molecules in the nematic phase. The ferronematic N-F shows strong polar azimuthal surface interaction energy, resulting in a homogeneous structure in planar aligned cells and a twisted structure in cells with antiparallel buffing. The observed agreement between experimental and simulated transmission spectra confirms the presence of twisted structures in antiparallel rubbed cells.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Astronomy & Astrophysics
Riddhi Chatterjee, Sunandan Gangopadhyay, A. S. Majumdar
Summary: The spontaneous excitation of a two-level atom in the presence of a perfectly reflecting mirror under the framework of GUP was studied. Results show that GUP modulates the spatial oscillation of the excitation probability of the atom, breaking the symmetry between different acceleration scenarios. An upper bound on the GUP parameter was further obtained using standard system parameters.
Article
Chemistry, Inorganic & Nuclear
Dong Shao, Peng Peng, Maolin You, Lin-Feng Shen, Shi-Yuan She, Yi-Quan Zhang, Zhengfang Tian
Summary: A unique hydrogen-bonded organic-inorganic framework with superior thermal and chemical stability and permanent porosity was constructed. Magnetic studies revealed significant magnetic anisotropy and field-induced slow magnetic relaxation in the framework. Computational studies provided insights into the origin of the magnetic anisotropy.
INORGANIC CHEMISTRY
(2022)
Article
Physics, Multidisciplinary
Arian Jadbabaie, Yuiki Takahashi, Nickolas H. Pilgram, Chandler J. Conn, Yi Zeng, Chi Zhang, Nicholas R. Hutzler
Summary: Polyatomic molecules are sensitive probes for exploring charge-parity violating and parity violating physics beyond the Standard Model. This study characterizes the fundamental bending vibration of (YbOH)-Yb-174 using high-resolution optical spectroscopy and provides essential information for the search of Beyond Standard Model physics in linear polyatomic molecules.
NEW JOURNAL OF PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Huanhuan Sun, Yu Huyan, Na Li, Da Lei, Huanyan Liu, Wei Hua, Chunguang Wei, Feiyu Kang, Jian-Gan Wang
Summary: By introducing a seamless and multifunctional metal-organic framework (MOF) interphase, a corrosion-free and dendrite-free Zn anode has been achieved, providing a promising solution for rechargeable aqueous batteries with high energy storage performance.
Article
Nanoscience & Nanotechnology
Xiaodong Geng, Yuqian Jiang, Hongting Ma, Hanwen Zhang, Junlin Liu, Zijian Zhang, Cheng Peng, Jianxin Zhang, Qian Zhao, Nan Zhu
Summary: Organic compounds have been extensively used as cathodes for zinc-ion batteries (ZIBs) due to their high capacities and outstanding properties. However, the poor electrical conductivity of these compounds limits their development. In this study, a 1,1'-iminodianthraquinone (IDAQ)/rGO composite was used as the cathode material for ZIBs, showing ultrahigh stability and excellent performance. The synergetic mechanism between Zn2+ and H+ in IDAQ/rGO was discussed in detail. This research provides new insights for the design of advanced ZIBs.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Inorganic & Nuclear
Jing Chen, Jing Wu, Guilin Zhuang, Bao Li, Jia Li
Summary: This study focuses on the unclear mechanism of metal-organic-framework (MOF)-based separation materials. A trinuclear Cu-cluster-based MOF was synthesized and its excellent separation properties towards C2H2/C2H4 and C2H2/CO2 mixtures were explained by the difference in adsorption energy and orbital-symmetry difference of gas molecules. These findings provide deep insights into the separation mechanism and offer an alternative strategy for preparing efficient adsorbents.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Yizhi Jiang, Zheng Wan, Xiao He, Jinrong Yang
Summary: A functional porous coating on a zinc electrode acts as an ionic sieve to improve aqueous zinc ion batteries. Molecular simulations reveal the process of continuous dehydration of solvated Zn2+ ions from the electrolyte into MOF channels. Modifying linkers on the MOF surface can weaken the solvation shell of Zn2+ ions, reducing dehydration energy and potentially enhancing electrical conductivity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Astronomy & Astrophysics
Maximilian Berbig
Summary: We present a version of the Type II seesaw mechanism for parametrically small Dirac neutrino masses, which solves the strong CP problem by a discrete exchange symmetry and discusses the low-energy phenomenology and cosmological implications.
Article
Chemistry, Multidisciplinary
Guosheng Chen, Siming Huang, Yong Shen, Xiaoxue Kou, Xiaomin Ma, Shuyao Huang, Qing Tong, Kaili Ma, Wen Chen, Peiyi Wang, Jun Shen, Fang Zhu, Gangfeng Ouyang
Summary: A versatile protein-directed assembly strategy is described, allowing the organization of different types of proteins and organic linkers into a highly crystalline hybrid framework through hydrogen-bond interaction. The resulting hybrid framework exhibits record-high protein content and ultrahigh chemical stability, with controllable aperture structure and protein confinement tightness through modulating organic linkers. Enzyme frameworks obtained using this strategy show significantly improved stability and notable advantages for biocatalysis compared to enzyme-MOF biohybrids in terms of active ingredient content, robustness, and catalytic efficiency.
Article
Chemistry, Multidisciplinary
Weichao Xue, Kai Wu, Nianfeng Ouyang, Thierry Brotin, Jonathan R. Nitschke
Summary: The self-assembly of flexible tritopic aniline and 3-substituted 2-formylpyridine subcomponents around iron(II) templates produced a low-spin (Fe4L4)-L-II capsule, while a high-spin (Fe3L2)-L-II sandwich species formed when a sterically hindered 6-methyl-2-formylpyridine was used. The (Fe4L4)-L-II cage was found to have a new structure type with S-4 symmetry, consisting of two mer-Delta and two mer-Delta metal vertices, as confirmed by NMR and X-ray crystallographic analysis. The flexibility of the face-capping ligand allowed the resulting (Fe4L4)-L-II framework to adapt structurally from S-4 to T or C-3 symmetry upon guest binding, and it also displayed negative allosteric cooperativity in binding different guests within its cavity and at the apertures between its faces.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Multidisciplinary Sciences
Puhup Puneet, Sajan Singh, Michiya Fujiki, Bhanu Nandan
Summary: This study investigates the evolution of homochirality of life on earth through experiments on systematically designed pi-conjugated rotamers. The results show that the CPL signals display a (-)-sign and handed dissymmetry ratio, which increase with the viscosity of achiral solvents. The research also suggests a consistent increase in the (-)-sign handed CPL signals with viscosity-induced effects.
Article
Chemistry, Inorganic & Nuclear
Qing Liu, Lu Liu, Pei-Xin Li, Guo-Cong Guo
Summary: Novel open-framework Zn compound was synthesized with a 1D channel structure, showing promising performance in detecting aniline with unprecedented detection limits through luminescence emission.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Naien Shi, Jun Zhang, Zhen Ding, Hui Jiang, Yong Yan, Daqing Gu, Wen Li, Mingdong Yi, Fengzhen Huang, Shufen Chen, Linghai Xie, Yubao Ren, Yu Li, Wei Huang
Summary: This study utilizes MOF nanosheets as charge trapping sites in organic field-effect floating-gate transistor memory device, showing significantly improved performance compared to devices using traditional trapping elements. The device demonstrates a considerable memory window of approximately 37.5 V at a programming voltage of -80 V, with a retention time longer than 10^4 s and good ON/OFF ratio of >10^3, making it a promising candidate for future microelectronic research in organic-inorganic-hybrid electronics.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Patrick W. Doheny, Simon J. Cassidy, Paul J. Saines
Summary: The development of sustainable and efficient cryogenic cooling materials, particularly those utilizing the magnetocaloric effect, is currently a major research focus. This study synthesized and characterized a series of metal-organic framework materials incorporating a flexible adipate ligand, and found that the Gd3(adipate)4.5(DMF)2 material exhibited the highest magnetocaloric performance, making it suitable for ultra-low-temperature cooling applications. The materials also demonstrated novel mechanical properties.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Aleksei S. Pronin, Anton I. Smolentsev, Svetlana G. Kozlova, Igor N. Novozhilov, Yuri V. Mironov
INORGANIC CHEMISTRY
(2019)
Article
Chemistry, Inorganic & Nuclear
P. A. Poltarak, V. Yu. Komarov, S. G. Kozlova, V. A. Nadolinnyi, A. A. Poltarak, S. B. Artemkina, V. E. Fedorov
JOURNAL OF STRUCTURAL CHEMISTRY
(2019)
Review
Multidisciplinary Sciences
Svetlana Kozlova, Maxim Ryzhikov, Denis Pishchur, Irina Mirzaeva
Article
Chemistry, Inorganic & Nuclear
Aleksei S. Pronin, Yakov M. Gayfulin, Anton Smolentsev, Svetlana G. Kozlova, Vadim V. Yanshole, Yuri Mironov
INORGANIC CHEMISTRY
(2020)
Article
Chemistry, Physical
Svetlana G. Kozlova, Denis P. Pishchur, Nikolay B. Kompankov, Vladimir R. Shayapov, Denis G. Samsonenko
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Physics, Multidisciplinary
Svetlana G. Kozlova, Denis P. Pishchur
Summary: This work interprets experimental data on the heat capacity of Zn-2(BDC)(2)(DABCO) near second-order phase transitions and proposes a potential understanding of the processes during phase transitions, which may help uncover quantum Zeno effects in metal-organic frameworks with evolving structural subsystems and establish relationships between quantum measurements and the entropy of phase transitions.
FOUNDATIONS OF PHYSICS
(2021)
Correction
Chemistry, Physical
Svetlana G. Kozlova, Denis P. Pishchur, Nikolay B. Kompankov, Vladimir R. Shayapov, Denis G. Samsonenko
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Maxim R. Ryzhikov, Svetlana G. Kozlova
Summary: The study investigates the potential energy surfaces and band gap landscapes of MoS2 and TiS2 monolayers using density functional methods. The research reveals stable energy differences in transition metal dichalcogenides and characteristic wavelike structures in the band gap landscapes. Furthermore, thermal vibrations are shown to potentially reduce the band gap in the 2H form of MoS2.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Maxim R. Ryzhikov, Irina V. Mirzaeva, Svetlana G. Kozlova, Yuri V. Mironov
Summary: In this study, the energy and structural parameters of the osmium carbonyl complex Os-3(CO)(12) with D-3h and D-3 symmetries were obtained using density functional theory (DFT) methods. The ground state was found to correspond to D-3 symmetry, with left-twisted and right-twisted characteristics, transitioning through a D-3h state with a small barrier and a parity violation energy difference. Additionally, an unusual three-center exchange interaction within the {Os-3} fragment was discovered, along with cooperative effects between osmium atoms suppressing chirality in the electron system of the cluster.
Article
Chemistry, Applied
Denis P. Pishchur, Nikolay B. Kompankov, Svetlana G. Kozlova
Summary: This paper analyzes the temperature behavior of the heat capacity of isostructural compounds M-2(bdc)(2)(dabco) (M = Co, Ni, Cu, Zn). It is found that all the samples undergo phase transitions at 12K and 60K. The phase transition observed in the Zn complex at-130K is not manifested in M-2(bdc)(2)(dabco) (M = Co, Ni, Cu) due to the spin-phonon interaction between paramagnetic M2+ ions and the mobility of frameworks of these compounds.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Biochemistry & Molecular Biology
Dmitry O. Arentov, Maxim R. Ryzhikov, Svetlana G. Kozlova
Summary: The electron transport through a dimolybdenum tetraacetate molecule embedded between electrodes formed by semi-infinite 1D monatomic chains of lithium, aluminum, and titanium atoms is calculated, and the role of quadrupole bonding in the transport properties of the system is analyzed.
Article
Biochemistry & Molecular Biology
Maxim R. Ryzhikov, Yakov M. Gayfulin, Anton A. Ulantikov, Dmitry O. Arentov, Svetlana G. Kozlova, Yuri V. Mironov
Summary: Understanding the redox transformations of complexes coordinated by redox-active apical ligands is important for designing electrochemically active compounds with functional properties. This study analyzed the interaction energy and electronic structure of cluster complexes trans-[Re(6)S(8)bipy(4)Cl(2)](n) (n = 2-, 4-, 6-, 8-) obtained by stepwise electrochemical reduction of a neutral cluster trans-[Re(6)S(8)bipy(4)Cl(2)] in DMSO solution. It was found that the formation of open-shell paramagnetic ions with S = 1, 2, and 1 is energetically favorable for n = 2-, 4-, and 6-, respectively.
Article
Chemistry, Physical
Svetlana G. Kozlova, Sergey A. Petrov, Alexsei Ya. Tikhonov, Lyudmila G. Lavrenova
Summary: A quantum chemical study was conducted on iron(II) complexes of different ligands. These complexes exist in low spin form at room temperature and switch to high spin form upon heating. The comparison of experimental measurements suggests that the chemical bonding in the complexes with L-2 may be more ionic in character than that in the complexes with L-1 and L-3. Additionally, the TPSSh functional provided better agreement with the experimental data than the B3LYP functional.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2023)
Article
Chemistry, Physical
Svetlana G. Kozlova, Maxim R. Ryzhikov, Vladimir R. Shayapov, Denis G. Samsonenko
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
Maxim R. Ryzhikov, Svetlana G. Kozlova
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
