Article
Chemistry, Physical
Shuai Zhang, Yifei Zhao, Yayun Zhou, Man Li, Wei Wang, Hong Ming, Xiping Jing, Shi Ye
Summary: The study investigates the dipole-dipole interaction between head groups and Mn blocks on the crystalline structures and luminescent properties of two 0D Mn hybrids. The efficient Forster Resonance Energy Transfer (FRET) in [C16Py](2)MnBr4 is attributed to parallel-oriented dipoles, while the absence of FRET in [C16mim](2)MnBr4 is due to perpendicular-oriented dipoles. This work provides insights into the influence of organic spacers on the geometry and dipole interaction of Mn polyhedron in the hybrids, which could be beneficial for future optical regulations and structural design.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Ting Shao, Jun Miao Gong, Jia Liu, Li Jun Han, Ming Chen, Qiangqiang Jia, Da Wei Fu, Hai-Feng Lu
Summary: 2D organic-inorganic hybrids are attracting significant scientific attention in recent years due to their unique features such as structural tunability and stability. A novel switchable molecular dielectric material has been reported in this study, demonstrating superior dielectric stability and potential as a candidate for switchable dielectric materials. The material undergoes a reversible phase transition at 353.9 K and shows rapid switching and reversibility between high and low dielectric states for several cycles.
Article
Chemistry, Multidisciplinary
Keke Han, Mengxia Zhang, Zhenhong Wei, Xing Ye, Wenjun Rao, Haina Zhang, Hu Cai
Summary: In this study, the reactions of 1,5-diazabicyclo[3.2.2]nonane (3.2.2-dabcn) with rubidium halides were investigated, resulting in the formation of two 3D molecular ferroelectrics.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Analytical
Kai Yao, Ruoke Jiang, Ping Wang, Jing Zhang, Bing Shao, Xiaojing Ding
Summary: A novel method utilizing non-aqueous capillary electrophoresis (NACE) with indirect ultraviolet detection (IUD) has been developed for the analysis of five quaternary ammonium compounds (QACs). Under optimal conditions, the method exhibited excellent performance characteristics and successfully analyzed 17 commercially available samples, confirming its suitability for accurate determination of the five QACs in disinfectant products.
Article
Chemistry, Physical
Raul Fuentes-Azcatl, Minerva Gonzalez-Melchor
Summary: A new force field model is proposed in this study for simulating the behavior of the ionic liquid 1-butyl-3-methylimidazolium - bis(trifluoromethylsulfonyl)imide, [Bmim][Nf(2)T]. This force field accurately reproduces the dielectric constant, density, and enthalpy of vaporization of the ionic liquid, with an error rate of less than 3%. Additionally, an investigation of the [Bmim][Nf(2)T]-H2O mixture is conducted, examining various concentrations from pure IL to pure water.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Electrical & Electronic
Mohamed Amine Ghebouli, Brahim Ghebouli, Tayeb Chihi, Messaoud Fatmi, Sameh Ibrahim Ahmed
Summary: The detailed investigation of CsInCl3 and CsInBr3 in zinc blende structure within GGA and LDA methods revealed their structural, elastic, electronic, and optical properties. The materials exhibit dominantly covalent bonding and semiconductor characteristics, with band gaps indicating their semiconducting nature. Different pressure effects and anisotropy were observed in the study, showing the potential for varied properties under different conditions.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2021)
Article
Chemistry, Physical
Jiyu Tian, Eli Zysman-Colman, Finlay D. Morrison
Summary: The study investigates the formation of partial solid solutions in Az(1-x)FA(x)PbBr(3) using similar-sized cations Az(+) and FA(+). Results show a clear mismatch in composition between precipitated samples and corresponding solutions, indicating kinetic control during precipitation compared to mechanosynthesis. Additionally, it is found that FA(+) is smaller than Az(+), contradicting existing literature.
CHEMISTRY OF MATERIALS
(2021)
Review
Chemistry, Multidisciplinary
Fang Kong, Ting-Kun Jiang, Jiang-Gao Mao
Summary: The article discusses how fluorine can replace oxygen ligands in functional groups and use the differences to enhance noncentrosymmetric structures and SHG materials. It also presents recent developments in fluoride selenite and tellurite SHG materials, as well as future prospects.
CHEMICAL COMMUNICATIONS
(2021)
Article
Nuclear Science & Technology
Steven D. Herrmann, Haiyan Zhao, Meng Shi, Matthew M. Jones, Michael N. Patterson
Summary: Experiments were conducted to demonstrate a halogenation technique for treating used aluminum matrix test reactor fuel, involving dissolution and separation of aluminum in molten-halide salt systems before handling the fuel's uranium and fission products. The technique showed successful aluminum removal rates ranging from 94.5-98.2% for chlorination runs and 91.4-97.8% for bromination runs, with no detection of neodymium in the distillate fractions.
JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY
(2022)
Article
Engineering, Electrical & Electronic
Wei-Chih Lai, Tien-Yu Wang, Siou-Huei Yang, Po-Yuan Chen, Tzung-Fang Guo, Peter Chen, Hsu-Cheng Hsu
Summary: The addition of choline chloride was found to enhance the optoelectronic properties of perovskite materials and reduce the conversion time. It also led to changes in the morphology and absorption edge of the perovskite, resulting in improved optoelectronic properties.
ACS APPLIED ELECTRONIC MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Xiaojun Ding, Yilin Luo, Wei Wang, Tongyang Hu, Jing Chen, Gang Ye
Summary: This study presents a new approach of using inorganic ammonium cations as hydrogen bond donors to regulate the assembly of carboxylic tectons and build robust hydrogen-bonded frameworks. The resulting frameworks exhibit permanent ultra-micropores and open oxygen sites, with diverse pore architectures achieved by bridging different building blocks with tetrahedral NH4+. The activated porous PTBA·NH4·DMF demonstrates remarkable selective sorption of CO2 over N2 and H2.
Article
Chemistry, Multidisciplinary
Xin Liu, Meng Xia, Yuxiang Zhao, Tian Xia, Yongpeng Li, Juanxiu Xiao, Zhuyin Sui, Qi Chen
Summary: The postsynthetic modification of imine covalent organic frameworks offers effective functionalization approaches, showing great potential in the field of lithium-sulfur batteries. The designed COF-PA-AI/S as a sulfur-loaded matrix material exhibits faster electrochemical kinetics and better performance, providing a new direction for the development of next-generation lithium-sulfur batteries.
MATERIALS TODAY CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Vincent Obiozo Eze, Lucas Braga Carani, Haimanti Majumder, M. Jasim Uddin, Okenwa Okoli
Summary: Inorganic CsPbIBr2 perovskites have attracted great attention as alternative materials for optoelectronic applications due to their higher efficiency, thermal stability, suitable bandgap, and proper optical absorption. However, the one-step deposition technique often results in CsPbIBr2 perovskite films with small grain size and compositional defects. In this study, silver iodide (AgI) was added as an additive to the CsPbIBr2 perovskite precursor solution to improve the film quality. The addition of AgI resulted in a uniform perovskite film with increased grain size, crystallinity, and optical absorption, while reducing carrier recombination and trap density. By incorporating an optimum amount of AgI, CsPbIBr2 perovskite solar cells were fabricated with a simplified structure and achieved a higher power conversion efficiency (PCE) of 7.2% and reduced hysteresis index. This work offers a promising approach for preparing high-quality CsPbIBr2 perovskite films for solar cells and other optoelectronic applications.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Multidisciplinary
Ruiyang Lyu, Curtis E. Moore, Tianyu Liu, Yongze Yu, Yiying Wu
Summary: This study presents a machine learning-assisted approach for predicting the dimensionality of lead iodide-based perovskites, utilizing 86 reported amines and identifying four structural features as key controlling factors. The constructed model is proven to have the capability of predicting the crystal structures of low-dimensional hybrid halide perovskites.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Engineering, Electrical & Electronic
Tao Huang, Ruiyan Li, Xuhang Chen, Ying Li, Yulei Chang, Wei Li, Weili Yu
Summary: Researchers have developed a convenient ammonium assistance method to improve the crystallinity and lattice orientation of two-dimensional perovskite films, resulting in significantly improved carrier mobility and stability. The use of oriented crystals, increased grain size, and improved crystal quality contributes to the high performance of lateral photodetectors. The champion device exhibits high Responsivity, External Quantum Efficiency, and Detectivity, as well as outstanding stability. This work reveals the potential of ammonium assistance two-dimensional perovskites in developing high-performance and stable optoelectronic devices.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Multidisciplinary Sciences
Francis Otieno, Mildred Airo, Rudolph M. Erasmus, Alexander Quandt, David G. Billing, Daniel Wamwangi
SCIENTIFIC REPORTS
(2020)
Article
Optics
Keshaan Singh, Daniel Wamwangi, Bhekumusa Mathe, Dave Billing, Morgan Madhuku
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA A-OPTICS IMAGE SCIENCE AND VISION
(2020)
Article
Physics, Multidisciplinary
Francis Otieno, Lesias Kotane, Mildred Airo, Caren Billing, Rudolph M. Erasmus, Daniel Wamwangi, David G. Billing
Summary: By analyzing the effects of blending ratios on the performance of organic solar cell devices, it was found that the optimal blend ratio of 2:1:1 resulted in a more favorable nano-scaled interpenetrating network with fewer traps, leading to an increased photo-generated current.
EUROPEAN PHYSICAL JOURNAL PLUS
(2021)
Article
Physics, Applied
M. Baloi, D. Wamwangi, B. A. Mathe, R. M. Erasmus, D. G. Billing, M. Madhuku, P. Sechogela
Summary: This study investigated the elastic properties and lattice thermal conductivity of amorphous Ge2Sb2Te5 and GeTe thin films using surface Brillouin scattering. It was found that GeTe exhibited acoustic hardening compared to Ge2Sb2Te5, leading to lower lattice thermal conductivities for both chalcogenides alloys. This could have practical applications in thermal management for phase-change memory devices and thermoelectric applications.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Energy & Fuels
Francis Otieno, Lesias Kotane, Mildred Airo, Rudolph M. Erasmus, Caren Billing, Daniel Wamwangi, David G. Billing
Summary: Organic solar cells (OSCs) utilize absorption of light to generate excitons which dissociate into free charge carriers, recent advancements in device performance have been driven by the development of novel donor and acceptor materials as well as device engineering. The differences between fullerene and non-fullerene materials in OSCs lie in their absorption characteristics and stability, with non-fullerene OSCs having tunable absorption spectrum and improved stability.
FRONTIERS IN ENERGY RESEARCH
(2021)
Article
Materials Science, Multidisciplinary
Wilfred M. Mbiombi, Daniel Wamwangi, Bhekumusa A. Mathe, R. M. Erasmus, Arthur G. Every, E. Carleschi, B. P. Doyle, D. G. Billing
Summary: DLC thin films are deposited using unbalanced RF magnetron sputtering at different substrate bias voltages to adjust sp3 and sp(2) bond ratios and hydrogen content in an optimized Ar: CH4 atmosphere. The substrate bias voltage affects the physical and elastic properties of the optimized DLC film, with Raman spectroscopy and XPS data showing changes in sp(3)/sp(2) bond ratios. The high hydrogen content is confirmed by photoluminescence background for all bias voltages.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Matthew C. Scheepers, Andreas Lemmerer
Summary: This study aimed to synthesize and characterize a series of multicomponent crystals containing sulfamethoxazole, sulfapyridine, and sulfathiazole. Fifteen different multicomponent crystals were successfully synthesized, with 2-aminopyridine and its derivatives being the predominant coformers, forming diverse hydrogen bonding networks.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Materials Science, Multidisciplinary
G. Mwendwa, D. Wamwangi, B. Mathe, R. Erasmus, D. Billing, A. Shnier, M. Madhuku
Summary: This study reports on the elastic and magnetic properties of multiferroic Tb0.3Mn20.9O78.8 thin films, which were deposited on silicon substrates and exhibited good ductility. The properties were analyzed using surface Brillouin scattering and vibrating sample magnetometry.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Chemistry, Inorganic & Nuclear
Andreas Lemmerer
Summary: In this study, we investigated a series of inorganic-organic hybrid materials (CnPbI) and found that they exhibit complex phase behavior and different phase structures, with the chain length playing a role. Regardless of the number of phases, all three compounds have the same lowest-temperature phase, but different room-temperature phases.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Berrak Ozer, Martin A. Karlsen, Zachary Thatcher, Ling Lan, Brian McMahon, Peter R. Strickland, Simon P. Westrip, Koh S. Sang, David G. Billing, Dorthe B. Ravnsbaek, Simon J. L. Billinge
Summary: The research investigates a prototype application for machine-readable literature, pyDataRecognition, which allows users to search literature based on experimental data sets. The program compares user data with existing database entries and ranks them according to similarity scores. Users can upload data and receive top-ranked papers with digital object identifiers and full references.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2022)
Article
Chemistry, Multidisciplinary
Matthew Clarke Scheepers, Andreas Lemmerer
Summary: This study synthesized five cocrystals containing izbt and izact, and characterized them using single-crystal X-ray diffraction, powder X-ray diffraction, and differential scanning calorimetry.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
(2023)
Article
Crystallography
Itumeleng B. Setshedi, Andreas Lemmerer, Mark G. Smith
Summary: In this study, the unexpected formation of a 1:1 co-crystal compound was observed during the modification of isoniazid for improved efficacy against Mycobacteria species. The co-crystal formation occurred due to the spontaneous generation of benzoic acid during the autoxidation of benzaldehyde.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Michelle Thiebaut, Caren Billing, Deena Naidoo, David G. G. Billing
Summary: “A hydrothermal method was used to synthesize LiFePO4 and explore the effect of the rate of Li+ precursor addition on the oxidation of Fe2+ and the formation of defects. The results revealed that slower addition rates led to increased oxidation of Fe2+ and increased defects.”
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Matthew C. Scheepers, Manuel A. Fernandes, Andreas Lemmerer
Summary: This study obtained two crystal forms (I and II) of isoniazid through a chemical reaction, and based on experimental and computational evidence, it was concluded that form II is the most stable form.
Article
Materials Science, Ceramics
Sikhumbuzo M. Masina, Caren Billing, Rudolph M. Erasmus, David G. Billing
Summary: The equilibrium phases of the Bi2O3-WO3 system were systematically investigated, showing that WO3 content and annealing temperature play a significant role in phase formation. The dominant phase was found to be 7Bi(2)O(3)-2WO(3), and the ionic conductivity of mixed-phase materials was only about three times lower than that of pure WO3 at 700 degrees C.
JOURNAL OF ELECTROCERAMICS
(2021)
Article
Chemistry, Multidisciplinary
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.
Article
Chemistry, Multidisciplinary
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.
Article
Chemistry, Multidisciplinary
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.
Article
Chemistry, Multidisciplinary
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.
Article
Chemistry, Multidisciplinary
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.
Article
Chemistry, Multidisciplinary
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.
