Article
Chemistry, Multidisciplinary
Andrew M. L. West, Nicholas Dominelli-Whiteley, Ivan V. V. Smolyar, Gary S. S. Nichol, Scott L. L. Cockroft
Summary: Crystallographic and computational studies suggest favourable interactions between polarizable arenes and halogen atoms. However, quantification of these interactions in solution has been hindered by the steric demands of the halogens. This study synthesized molecular balances and used H-1 NMR spectroscopy to quantify halogen-arene contacts in various solvents, revealing that the interaction trend is aligned with increasing exchange repulsion rather than dispersion.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Engineering, Environmental
Chaoke Liu, Yannan Zhou, Tengyue Li, Huayi Zhou, Mingliang Xie, Lizhi Chu, Qikun Sun, Shi-Tong Zhang, Wenjun Yang, Shanfeng Xue
Summary: Developing high-performance nondoped deep-blue luminescent materials for OLEDs is important yet challenging. In this study, two highly efficient pure-blue and deep-blue materials, PIPMePBO and PIPDMePBO, were designed and synthesized. The double-methyl-substituted PIPDMePBO showed nondoped deep-blue electroluminescence with high external quantum efficiency (8.0%) and minimal efficiency roll-off (approximately 12%).
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Saravanan Raju, Harkesh B. Singh, Sangit Kumar, Ray J. Butcher
Summary: A new tellurium and mercury containing macrocycle was synthesized via (2+2) condensation reaction and exhibited an unsymmetrical figure-of-eight conformation in the crystal structure. The resulting silver complexes showed intramolecular Hg...Ag and Te...Ag interactions as well as intermolecular Hg...Hg interactions, forming an extended 1D molecular chain in a non-linear manner. Solution studies using Hg-199 and Te-125 NMR spectroscopy, absorption, and emission spectroscopy further investigated the behavior of Hg...Ag and Te...Ag interactions. DFT calculations, AIM analysis, NCI, and NBO analysis supported the experimental findings and revealed the stronger intermolecular Hg...Hg interaction compared to the intramolecular Hg...Ag interactions.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Ehsan Shakerzadeh, Ladan Azizinia
Summary: DFT calculations indicate that C24N24 cavernous nitride fullerene shows promising potential as an anode material for metal-ion batteries, with high storage capacities and suitability for alkali and alkali earth metal-ion batteries.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Sudharsan Balasubramanian, D. Shobana Priyanka, M. Srinivasan, P. Ramasamy
Summary: This study investigates the structural, electronic, magnetic, and thermodynamic properties of BiXO3 (X = Be, Ca, Mg, Na, K, Li) perovskite materials. The research findings suggest that these materials are stable in the ferromagnetic phase and exhibit half-metallic properties, making them suitable for spintronic applications.
SOLID STATE SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Mohammad Salavati, Naif Alajlan, Timon Rabczuk
Summary: The efficient performance of metal-ion batteries relies on the characteristics of electrode materials. The phosphorated-triphenylene graphdiyne monolayer shows high storage capacities for various ions and good electronic conductivity when adsorbed with metal ions, making it a promising candidate for optimal charging/discharging processes in advanced metal-ion batteries.
APPLIED SCIENCES-BASEL
(2021)
Article
Materials Science, Ceramics
Ce Li, Xu Zhang, V. C. Onah, Weiling Yang, Zhuang Leng, Xiliang Jiang, Fangming Zhang, Shasha Li, Yong Zhang, Yu Han, Huisheng Liu, Chun Li, Dingfu Zhou, Fanming Zeng
Summary: The effect of alkali metal and alkaline earth metal oxide on the properties of tellurite glass was analyzed. It was found that doping with alkali metals and alkaline earth metals can improve the compactness of the glass, increase luminescence intensity, and improve color purity.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Physical
Yue Zhong, Shuang Zhou, Qiong He, Anqiang Pan
Summary: This review summarizes the challenges faced by high-energy battery systems using alkali metal (Li/Na/K) anodes, and categorizes and outlines the strategies of architecture design from the perspective of electrochemical reactions. The similarities and differences of different alkali metals in terms of mechanical and chemical properties are also discussed.
ENERGY STORAGE MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Lu Zhang, Zhixuan Wei, Shiyu Yao, Yu Gao, Xu Jin, Gang Chen, Zexiang Shen, Fei Du
Summary: By employing polymorph engineering, the volumetric capacity of FeSe can be enhanced, leading to the development of a conductive additive-free electrode with improved performance in sodium storage.
ADVANCED MATERIALS
(2021)
Review
Chemistry, Multidisciplinary
Sambhaji S. Shinde, Nayantara K. Wagh, Sung-Hae Kim, Jung-Ho Lee
Summary: Solid-state batteries have gained attention for their high energy density, reversible cycle life, and safe operations compared to commercial Li-ion batteries. This review discusses the fundamentals of solid electrolyte interphase (SEI) and provides insights into metal nucleation and deposition for reversible metal anodes. It also explores ion transport mechanisms, state-of-the-art solid-state electrolytes, and interface challenges for integrating solid-state electrolytes, anodes, and cathodes in large-scale SSBs.
Article
Energy & Fuels
Yuvaraj Subramanian, Rajesh Rajagopal, Sung Kang, Yu Jin Jung, Kwang-Sun Ryu
Summary: In this study, the issues of lithium dendrites and moisture sensitivity in sulfide solid electrolyte were addressed by substituting Sc2O3 on P and S-site in Li6PS5Cl structure. The Sc2O3 substituted Li6PS5Cl showed improved ionic conductivity, interface stability with lithium, DC cyclability, and atmospheric stability. The assembled battery exhibited high discharge capacity and good retention rate after cycling.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Physical
Qi Zhang, Lan Wu, Meijing Fan, Xuan Wu, Qibo Deng, Guang He, Yi Ding
Summary: A novel room-temperature alloying strategy is proposed in this study, where the introduction of tiny Hg into Sn foil forms a hexagonal Sn0.9Hg0.1 amalgam phase, enabling highly reversible Li/Na diffusion and inhibiting dendrite growth in metal batteries. The alloying process has been successfully extended to Zn foil, suggesting its potential as a universal strategy for designing versatile alloy electrodes for alkali metal batteries.
ENERGY STORAGE MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Marina Perez-Jimenez, Jesus Campos, Jesus Jover, Santiago Alvarez, Ernesto Carmona
Summary: LiCH3 and LiCH2CH3 react with complex [Mo-2(H)(2)(μ-Ad(Dipp2))(2)(thf)(2)] (1 center dot thf) to form complexes with coordination of LiCH2R (R=H, CH3). Computational studies reveal the existence of five-center six-electron bonding within the H-Mo(sic)Mo-C-Li metallacycles, with predominantly ionic Li-C and Li-H interactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Review
Chemistry, Multidisciplinary
Fei Li, Renbin Liu, Jie Liu, Hongsen Li
Summary: The pursuit of high energy density rechargeable batteries has led to significant research efforts in developing cathode materials for lithium/sodium-ion batteries. Transition metal oxide materials with remarkable electrochemical performance are particularly promising as next-generation battery cathodes. However, challenges remain in terms of cost, lifespan, energy density and safety. This review examines the voltage hysteresis phenomenon in intercalation electrodes and presents strategies to mitigate its negative effects. Various characterization techniques related to voltage hysteresis are discussed, along with potential design trends to eliminate this phenomenon in cathode materials.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Tingting Qin, Wenli Zhang, Yue Ma, Wei Zhang, Taowen Dong, Xianyu Chu, Tian Li, Zizhun Wang, Nailin Yue, Hongyan Liu, Lirong Zheng, Xiaofeng Fan, Xingyou Lang, Qing Jiang, Weitao Zheng
Summary: In this study, the interaction mechanism between bismuth (Bi) and alkali metal ions (Li+, Na+ and K+) in aqueous alkali-metal ion batteries (ARABs) was investigated using various experimental and theoretical methods. It was found that Bi exhibited high specific capacity for Na+ and K+ storage, but lower capacity for Li+ storage. The irreversibility of Li+ dealloying from Bi matrix due to large adsorption energy resulted in poor rate performance and cycling stability. The large volume expansion caused by the largest radius of K+ contributed to the poor cycling stability for K+ storage. Bi showed superior performance for Na+ storage due to the appropriate interaction strength between Bi and Na+.
ENERGY STORAGE MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Vaibhav Bedi, Dipendu Mandal, Zahid Hussain, Shi-Ming Chen, Yile Wu, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan
Summary: The reaction of (tBuO(2)CN)(2) with 9-BBN leads to the formation of a bicyclic heterocyclic compound, while its reactions with BF3 or [Et3Si][B(C6F5)(4)] result in the isolation of different compounds. Computational studies reveal that the steric and electronic properties of the Lewis acid are important in the formation of one of the compounds.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chisa Itoh, Haruka Yoshino, Taku Kitayama, Wataru Kosaka, Hitoshi Miyasaka
Summary: A new synthetic route for constructing functional paddlewheel diruthenium(II,II) complexes was developed, utilizing Schiff base condensation reactions. The attached Schiff base groups significantly affected the electronic states of the resulting complexes, as revealed by cyclic voltammetry and DFT calculations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Danrui Ni, Haozhe Wang, Xianghan Xu, Weiwei Xie, Robert J. Cava
Summary: A layered rhombohedral polymorph of indium(iii) triiodide is synthesized at high pressure and temperature. It has an orange color, which is different from ambient pressure InI3, which has a monoclinic molecular structure and a light-yellow color.
DALTON TRANSACTIONS
(2024)
Review
Chemistry, Inorganic & Nuclear
Juan Carlos Perez-Sanchez, Raquel P. Herrera, M. Concepcion Gimeno
Summary: Gold(II) complexes have been less utilized in catalysis compared to their gold(I) and gold(III) counterparts. However, gold(II) complexes offer potential in homo-coupling and cross-coupling reactions, as they are more easily accessible through simplified oxidation and reduction processes. Gold(II) exhibits characteristics of both soft acid gold(I) and hard acid gold(III). This review explores the unique reactivity and potential applications of gold(II) species, highlighting their significance in catalytic transformations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Nighat Yousuf, Yanping Ma, Qaiser Mahmood, Wenjuan Zhang, Yizhou Wang, Hassan Saeed, Wen-Hua Sun
Summary: In this study, a series of structurally rigid cyclooctyl-fused iminopyridine iron complexes were synthesized and used with methylaluminoxane for isoprene polymerization. The extent of steric hindrance of the ligand framework was found to significantly affect catalytic performance, with less hindrance leading to better activity and stability.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chenghao Song, Huiwei Du, Menglei Xu, Jie Yang, Xinyu Zhang, Jungan Wang, Yuanfang Zhang, Chengjun Gu, Rui Li, Tao Hong, Jingji Zhang, Jiangying Wang, Yongchun Ye
Summary: This study improves the performance of perovskite solar cells by using a dual-hole transport layer strategy. This strategy enhances the charge transfer efficiency of the transport layer, reduces charge recombination, and improves the quality of the perovskite film layer. Ultimately, the stability of the device is enhanced.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mahender Singh, Aakash Yadav, Ranjit Singh, Chullikkattil P. Pradeep
Summary: A new aryl selenonium polyoxometalate hybrid was developed and compared with an aryl sulfonium polyoxometalate hybrid in terms of their photocatalytic properties. It was found that the aryl selenonium hybrid exhibited better catalytic performance, which could be attributed to the larger atomic radii of selenium stabilizing the photogenerated electron-hole pair more efficiently. Additionally, the generation of elemental selenium through cleavage of C-Se bonds during catalysis was observed.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Yuhan Xie, Boyu Dong, Xuemin Wang, Siyuan Wang, Jinxi Chen, Yongbing Lou
Summary: This study successfully fabricated visible-light-responsive three-dimensional core-shell CoSe2/ZnIn2S4 heterostructures and achieved attractive activity in photocatalytic hydrogen evolution. The presence of CoSe2 improved light absorption and accelerated charge transfer kinetics. The strong interaction between CoSe2 and ZnIn2S4 reduced charge recombination, further enhancing photocatalytic activity for hydrogen evolution.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Andre L. de O. Batista, Joao Marcos T. Palheta, Mauricio J. Piotrowski, Celso R. C. Rego, Diego Guedes-Sobrinho, Alexandre C. Dias
Summary: This study presents a simulation protocol that provides a solid foundation for exploring two-dimensional materials. Using the TiBr2 2H monolayer as an example, the study reveals its promising properties for optoelectronic and valleytronic applications, including its stability, spin-orbit coupling effects, and optical helicity selection rule.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Jiang Jiang, Zi-Wei Li, Zhi-Zhuan Zhang, Bin Tan, Zhao-Feng Wu, Xiao-Ying Huang
Summary: In this work, two metal organic frameworks (MOFs) containing {Cu2I2} clusters, Eu-CuI-INA and Sr-K-CuI-INA, were synthesized and characterized. Both materials have a three-dimensional structure with {Cu2I2} clusters coordinated by INA(-) ligands and Eu3+ or Sr2+ ions. The Sr-K-CuI-INA material exhibited sensitive fluorescence sensing behaviors towards cysteine and nitro-bearing molecules, showing potential applications in bio and explosive molecule sensing. This work provides a good reference for designing fluorescent MOF probes containing CuI molecules.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhiya Lin, Jiasheng Wu, Qianwen Ye, Yulong Chen, Hai Jia, Xiaohui Huang, Shaoming Ying
Summary: Na-ion batteries (NIBs) have attracted great interest as a potential technology for grid-scale energy storage due to the wide distribution, low cost, and environmental friendliness of sodium resources. However, their implementation is hindered by low rate capability and cycling stability caused by the large ionic size of Na+. In this study, a three-dimensional nanoarchitectured coral-like CoSe2@N-doped carbon (CL-CoSe2@NC) was synthesized, and it exhibited improved sodium storage properties with better electrode kinetics and a stable SEI film.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Ya-Qiong Zhang, Yu Zhang, Guoping Zeng, Rong-Zhen Liao, Man Li
Summary: The mechanism and selectivity of CO2 reduction under visible light were investigated using density functional calculations. The results showed that a tetradentate PNNP-type Iridium(III) complex exhibited high activity and selectivity in the reaction.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Sanyukta Ghosh, Shubhanth Jain, Soumya Ranjan Mishra, Gerda Rogl, Peter Rogl, Ernst Bauer, B. S. Murty, A. Govindaraj, Ramesh Chandra Mallik
Summary: In this study, reduced graphene oxide (rGO) was uniformly dispersed in the In0.5Co4Sb12 bulk material by ultrasonication, which effectively reduced the lattice thermal conductivity and improved the thermoelectric efficiency.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mika Takeuchi, Yutaka Amao
Summary: This study developed an effective visible-light driven system for fumaric acid production using renewable resources such as biomass derivatives, providing an alternative to the current petroleum-based synthesis methods.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Juan Jian, Meiting Wang, Zhuo Wang, Jingwen Meng, Yuqin Yang, Limin Chang
Summary: Developing low-cost and self-supported bifunctional catalysts is crucial for highly efficient water splitting devices. In this study, nano-NiFe2O4 was directly grown onto iron foil surface and Sn4+ was introduced into the NiFe2O4. The resulting Sn-NiFe2O4/IF showed low overpotentials and high current densities during oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), making it a promising catalyst for large-scale hydrogen production.
DALTON TRANSACTIONS
(2024)