Crystallography

Article Crystallography

Salts of amino acids with polar symmetry exhibiting a dimeric cation of the [A(1)+•••A(2)] type. New type of polymorphism

G. S. Tonoyan, G. Giester, M. Szafranski, A. M. Petrosyana

Summary: This paper reports on the synthesis and crystal structures of a new class of amino acids salts, which have polar symmetry and potential pyroelectric or ferroelectric properties. Thirteen different salts are included.

JOURNAL OF CRYSTAL GROWTH (2024)

Article Crystallography

Cu2ZnGeSe4 single crystals: Growth, structure and temperature dependence of band gap

Ivan Bodnar, Vitaly V. Khoroshko, Veronika A. Yashchuk, Valery F. Gremenok, Mohsin Kazi, Mayeen U. Khandaker, Tatiana I. Zubar, Daria I. Tishkevich, Alex Trukhanov, Sergei Trukhanov

Summary: This work presents the production of single crystals of Cu2ZnGeSe4, a semiconducting quaternary compound, using a gas chemical method with iodine as a transporter. The phase state, crystal structure, and lattice constants of the synthesized samples were refined and determined. The band gap of Cu2ZnGeSe4 was calculated using transmission spectrum and it was found that the band gap increases by 12% with decreasing temperature in the range of 20-300 K.

JOURNAL OF CRYSTAL GROWTH (2024)

Article Crystallography

A CFD study of the gas reaction path in growth of InN films in metal-organic chemical vapor deposition

Peng Su, Guangyu Zheng, Hong Zhang, Yukang Sun, Ran Zuo, Lijun Liu

Summary: This study summarized and compared the kinetic parameters of gas-phase reactions during InN MOCVD growth, and analyzed the effects of different kinetic parameters on the gas reaction path. The results showed that the change in reaction path did not significantly affect the growth rate, and pyrolytic products played a greater role in the growth rate.

JOURNAL OF CRYSTAL GROWTH (2024)

Article Crystallography

Effect of growth temperature of NH3-MBE grown GaN-on-Si layers on donor concentration and leakage currents

Timur Malin, Igor Osinnykh, Vladimir Mansurov, Dmitriy Protasov, Sergey Ponomarev, Denis Milakhin, Konstantin Zhuravlev

Summary: The effect of growth temperature on the buffer leakage currents of GaN-on-Si layers was investigated. It was found that higher growth temperature results in lower leakage currents. The defects in GaN layers grown at different temperatures were studied using photoluminescence technique, and a correlation between leakage currents, structural perfection, and donor concentration in GaN-on-Si layers was established. It was also observed that reduced growth temperature leads to the formation of inversion domains.

JOURNAL OF CRYSTAL GROWTH (2024)

Article Crystallography

First-principles calculations of a-Ga2O3 /Al2O3 superlattice band structures

Takahiro Kawamura, Toru Akiyama, Yoshihiro Kangawa

Summary: In this study, the bandgap dependencies of α-Ga2O3/Al2O3 superlattices on the superlattice period thickness and lattice strain were investigated using first-principles calculations. The conduction and valence band offsets at the Ga2O3/Al2O3 interface were also examined.

JOURNAL OF CRYSTAL GROWTH (2024)

Article Crystallography

Twenty years crystal growth of solar silicon: My serendipity journey

C. W. Lan

Summary: The past two decades have witnessed a significant transformation in solar silicon crystal growth, especially in the competition between multi-crystalline silicon (Multi-Si) and mono-crystalline silicon (Mono-Si). The demand for this crucial material has exponentially surged, with silicon solar panels capturing over 95% of the global PV market share. The advancements in crystal growth technology during this period have set historical benchmarks, with the market share shifting from high-performance multi-crystalline silicon (HPM-Si) to CZ silicon.

JOURNAL OF CRYSTAL GROWTH (2024)

Article Chemistry, Multidisciplinary

Dual control of passive light output direction by light and mechanical forces in elastic crystals

Chuchu Han, Jing Yang, Xin Zhang, Aisen Li, Jiang Peng

Summary: An elastic crystal based on a photo-reactive acylhydrazone derivative is reported, which exhibits reversible bending behavior under UV irradiation and heating. The crystal undergoes reversible E<->Z isomerization under light and heating conditions. The crystal demonstrates excellent elastic properties and the bending can be controlled to control the output direction of red light.

CRYSTENGCOMM (2024)

Article Chemistry, Multidisciplinary

N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives

Lingfeng Zhang, Yu Wang, Yefeng Wang, Shuai Liu, Na Zhang, Mingmin Yang, Haixia Ma, Zhaoqi Guo

Summary: This study designs and synthesizes a series of high-energy salts compounds without heavy metal ions and azide groups. The molecular structures and stability of the compounds are confirmed through single-crystal X-ray diffraction and intermolecular interaction analysis. Furthermore, the thermal stability, energetic properties, and electrical initiation properties of the compounds are investigated, suggesting their potential as primary explosives.

CRYSTENGCOMM (2024)

Article Chemistry, Multidisciplinary

Unravelling the structure of the CSD cocrystal network using a fast near-optimal bipartisation algorithm for large networks

Tom E. de Vries, Elias Vlieg, Rene de Gelder

Summary: Networks are important for describing relationships between people, roads between cities, reactions between chemicals, and other interactions. Bipartiteness, dividing the network into two groups, can facilitate the study of the network's structure. We have developed an algorithm that can find a near-optimal bipartisation within a reasonable time frame and used it to uncover the hidden structure of the CSD cocrystal network.

CRYSTENGCOMM (2024)

Article Chemistry, Multidisciplinary

Anion-exchange synthesis of an MnCo2S4 electrocatalyst towards facilitated ultralong hydrogen evolution reaction in acidic and alkaline media

Abu Talha Aqueel Ahmed, Sankar Sekar, Shubhangi S. Khadtare, Nurul Taufiqu Rochman, Bathula Chinna, Abu Saad Ansari

Summary: In this study, MnCo2S4 nanosheet catalyst was successfully synthesized and found to exhibit superior performance in hydrogen evolution. Compared to MnCo2S4, MnCo2S4 showed low overpotentials, moderate Tafel slope, and excellent sustainability. The outstanding performance can be attributed to the increased number of electrochemically active sites and enhanced electronic conductivity on the catalyst surface.

CRYSTENGCOMM (2024)

Article Chemistry, Multidisciplinary

Single crystal ferroelectric AlScN nanowires

Xiaoman Zhang, Wangwang Xu, W. J. Meng, Andrew C. Meng

Summary: This study successfully grew high-quality single crystal AlScN nanowires through ultra-high vacuum reactive sputtering technique and characterized their structure and properties. The nanowires exhibit significantly reduced mosaic spread and predominantly single ferroelectric domains, as well as a high piezoelectric constant.

CRYSTENGCOMM (2024)

Article Chemistry, Multidisciplinary

Er- and Yb-doped YGa3(BO3)4 and GdGa3(BO3)4 laser materials: high-temperature crystallization and related properties

Victor V. Maltsev, Elena A. Volkova, Elizaveta V. Koporulina, Diana D. Mitina, Vladimir L. Kosorukov, Anna I. Jiliaeva, Daniil A. Naprasnikov, Konstantin N. Gorbachenya, Viktor E. Kisel

Summary: The phase relationships, crystal properties and luminescence kinetics of two complex systems were studied, including unit cell parameters, segregation coefficients of impurities, and lifetimes of energy levels.

CRYSTENGCOMM (2024)

Article Crystallography

Domain boundaries and growth manner of a-plane ZnO film on symmetric (001)LaAlO3 substrate

Wei-Lin Wang, Wei-Chun Chen, Yen-Teng Ho, Kun-An Chiu, Li Chang

Summary: A non-polar a-plane ZnO film grown on (001)LaAlO3 (LAO) substrate was characterized, revealing two perpendicular grain domains. The coalescence of grain islands in one domain type results in the formation of stacking mismatch boundaries (SMB) and inversion domain boundaries (IDB).

JOURNAL OF CRYSTAL GROWTH (2024)

Article Crystallography

More than 60% RF loss reduction and improved crystal quality of GaN-on-Si achieved by in-situ doping tert-butylphosphorus

Yachao Zhang, Shiteng Liu, Jinbang Ma, Yixin Yao, Baiqi Wang, Shengrui Xu, Bin Hou, Zhihong Liu, Jincheng Zhang, Yue Hao

Summary: In this study, the parasitic conductive channel in a silicon substrate is compensated for the first time using in-situ doping. The experimental results demonstrate that in-situ doping of tert-butylphosphorus (TBP) has a positive effect on reducing radio frequency loss and improving the crystal quality of GaN.

JOURNAL OF CRYSTAL GROWTH (2024)

Article Chemistry, Inorganic & Nuclear

Sensitized Eu(III) luminescence by energy transfer from the Cu(I) antenna chromophore

Yuyu Shan, Zhenqin Zhao, Xia Zhang, Zhan Wu, Xiu-Ling Li

Summary: In this study, a new bridging ligand was synthesized through refluxing, and two mononuclear Cu(I) complexes and two trinuclear Cu(I)-Eu(III) complexes were obtained through self-assembly. The Cu(I) antenna chromophores successfully transferred energy to the Eu(III) centers, achieving sensitized Eu(III) luminescence.

POLYHEDRON (2024)

Article Chemistry, Inorganic & Nuclear

Electrical, spectroscopic and DFT studies of synthesized bridged bis (2-oxy benzylidene) hydrazine-carbonothioly-hydrazono cobalt(II)phthalocyanine

Sevil Sener, Nursel Acar, Fatih Dumludag

Summary: The synthesis, characterization, spectroscopic and bonding features of a new Co (II) phthalocyanine compound containing two thiocarbohydrazone groups were explained. The compound showed semiconductor properties and potential as a temperature sensor.

POLYHEDRON (2024)

Article Chemistry, Inorganic & Nuclear

Reactivity of ruthenium complexes towards organogallium reagents: Gallium as a Z-type ligand or as a gallate counterion

Gabriela Sanchez-Lecuona, Mayra C. Vazquez-Nunez, Bruno Donnadieu, Miguel A. Munoz-Hernandez, Virginia Montiel-Palma

Summary: The reaction of RuHCl(PPh3)3 with GaMe3 has been studied and the obtained complexes were analyzed in detail. The results indicate the formation of a Ru-Ga bond, suggesting the generation of an in situ formed ambiphilic phosphinogallyl ligand. This is of significance for understanding the interaction between metal-halogen bonds and metal-small molecule bonds.

POLYHEDRON (2024)

Article Crystallography

Contributions to the development of crystal growth technologies

Peter Rudolph

Summary: This article presents an overview of selected contributions to the development of crystal growth technology by the Laudise Prize awardee 2023. It discusses various aspects such as shaped crystal growth, the correlation between melt structure and crystal quality, control of intrinsic defects and inclusions, prevention of dislocation cell patterns, and melt growth experiments under a travelling magnetic field.

JOURNAL OF CRYSTAL GROWTH (2024)

Article Chemistry, Inorganic & Nuclear

Four Anderson- and isopolymolybdate-viologen photochromic materials for UV detection, inkless erasable printing, and ammonia detection

Meng-Le Yang, Hong-Tao Cui, Kai-Li Hui, Jun Ying, Ai -Xiang Tian

Summary: In this study, four POMs-based compounds were synthesized using hydrothermal and solvothermal conditions, and it was found that they possess photochromic, UV detection, and inkless erasable printing properties.

POLYHEDRON (2024)

Article Chemistry, Inorganic & Nuclear

Efforts to understand the degree of carboxylate substitution in cis-[Pt(S(O) Me2)(guanidine)Cl2]: Synthetic, Structural and DFT Studies

Rishabh Ujjval, Hilal Ahmad Khan, Chinnappan Sivasankar, Natesan Thirupathi

Summary: In this study, a rigid 2-aminobenzimidazole type guanidine and its platinum complexes were synthesized through a series of reactions and characterized by various physical and chemical methods. The reaction mechanism was also explained through DFT calculations.

POLYHEDRON (2024)