Article
Chemistry, Inorganic & Nuclear
Philip Junker, Zheng-Wang Qu, Tim Kalisch, Gregor Schnakenburg, Arturo Espinosa Ferao, Rainer Streubel
Summary: New thermally labile Li/Cl phospinidenoid tungsten complexes were synthesized using N,N-diphenylamino- and N,N-dicyclohexylamino-substituted dichlorophosphane ligands. The transient nature of these complexes was confirmed through low-temperature NMR spectroscopy and formal E-H insertions reactions with methanol and methylamine. State-of-the-art DFT calculations provided insights into the possible reaction pathways involved in the formation of new electrophilic phosphinidene complexes.
DALTON TRANSACTIONS
(2021)
Article
Electrochemistry
Cyril Bubu Dzakpasu, Dahee Jin, Dongyoon Kang, Nayeon Kim, Taejin Jo, Hongkyung Lee, Sun-Yul Ryou, Yong Min Lee
Summary: This article introduces a 40μm thick carbon nanotube-embedded Li metal powder (CNT-LMP) electrode that improves the inter-particle contact and provides additional Li nucleation sites. The CNT-LMP electrode exhibits a longer cycle life compared to the bare LMP electrode, and the full cell with CNT-LMP shows a more stable cycle performance. In contrast, the bare cell without CNT decays suddenly after 300 cycles.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Ali Jawaid, Asra Hassan, Gregory Neher, Dhriti Nepal, Ruth Pachter, W. Joshua Kennedy, Subramanian Ramakrishnan, Richard A. Vaia
Summary: A new room-temperature etching method using halogens in anhydrous media can synthesize MXenes from Ti3AlC2, providing opportunities for controlled surface chemistries to modulate MXene properties. The radical-mediated process strongly depends on various factors, such as the molar ratio of halogen to MAX phase, concentration of halogen, solvent, and temperature.
Article
Chemistry, Physical
Chunyu Zhao, Dashuai Wang, Ruqian Lian, Dongxiao Kan, Yaying Dou, Chunzhong Wang, Gang Chen, Yingjin Wei
Summary: Through first-principles calculations based on density functional theory, it was found that monolayer TiSe2 and bulk TiSe2 exhibit distinct Li+ storage mechanisms and both undergo a two-stage redox process. Monolayer TiSe2 has higher theoretical capacity and lower Li+ diffusion barriers, indicating great potential as a high rate anode material for lithium-ion batteries.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Di Lu, Xincheng Lei, Suting Weng, Ruhong Li, Jiedong Li, Ling Lv, Haikuo Zhang, Yiqiang Huang, Junbo Zhang, Shuoqing Zhang, Liwu Fan, Xuefeng Wang, Lixin Chen, Guanglei Cui, Dong Su, Xiulin Fan
Summary: The new electrolyte with self-purifying feature eliminates harmful substances, ensuring efficient cycling; the electrolyte system enables long-term cycling with high capacity retention at different temperatures, even under extreme conditions.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Physical
Christina Ertural, Ralf P. Stoffel, Peter C. Mueller, C. Alexander Vogt, Richard Dronskowski
Summary: This study presents a first-principles investigation of cathode and anode materials for lithium- and sodium-ion batteries, focusing on complex nitrogen chemistry. The results reveal new conclusions about intercalation behavior and stability of dicyanamide salts, indicating their potential as alternative electrode materials.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Rozita Monsef, Masoud Salavati-Niasari, Maryam Masjedi-Arani
Summary: An ideal spinel-perovskite nanocomposite based on Li-Mn-Fe-Si materials was successfully fabricated for electrochemical hydrogen storage. The reaction conditions were engineered to optimize the phase composition and morphological features of the nanostructures. The nanosized products were characterized using various analytical techniques. The electrochemical tests showed that the nanoplate-like LMFO/FSO nanostructures exhibited higher hydrogen storage capacity.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Xing Xin, Chunyu Cui, Kaiyuan Shi, Xuting Yuan, Xing Li
Summary: Li dendritic growth is a critical obstacle in Li metal batteries, which can lead to safety hazards. A new electrolyte based on halogen ions has been investigated and found to inhibit Li dendrite formation and improve cycling performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
Guocang Wang, Jacob E. Walley, Diane A. Dickie, Andrew Molino, David J. D. Wilson, Robert J. Gilliard
Summary: A novel beryllium imido complex with the shortest Be=N bond reported to date was synthesized and characterized experimentally and computationally. The existence of pi-bonding between beryllium and nitrogen was supported by density functional theory calculations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Chemistry, Physical
Evgeniya Podyacheva, Oleg Afanasyev, Dmitry V. Vasilyev, Denis Chusov
Summary: Borrowing hydrogen or the hydrogen autotransfer amination is a powerful and atom-efficient method for creating single C-N bonds from stable and readily available substrates. This method is considered to be green and is highly efficient in synthesizing complex amines.
Article
Engineering, Electrical & Electronic
Mohit Tyagi, Sudhanshu Choudhary
Summary: Using density functional theory (DFT) simulations, the electrical and optical characteristics of WSe2 monolayers with adsorbed alkali and halogen atoms were investigated. The results show that the absorption coefficient of the adsorbed structures increases with wavelength and the absorption peaks move towards the higher energy region of the optical spectrum. Chlorine, bromine, and iodine adsorbed WSe2 structures exhibit stronger absorption in the visible spectrum.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Maxim A. Blagov, Nataliya G. Spitsyna, Nikolai S. Ovanesyan, Anatolii S. Lobach, Leokadiya V. Zorina, Sergey V. Simonov, Konstantin V. Zakharov, Alexander N. Vasiliev
Summary: A new iron(III) anionic complex based on a pyruvic acid thiosemicarbazone ligand has been synthesized and characterized. The compound exhibits a spin-crossover transition from the low-spin to the high-spin state above 250 K. It was also found that the lithium cation has an influence on the stabilization of the low-spin state.
DALTON TRANSACTIONS
(2023)
Article
Multidisciplinary Sciences
Fatemeh Shirvani, Mohammad Reza Jafari, Aliasghar Shokri
Summary: The lithium-alloyed transition metal nitride and carbide structures show good Li-ion applicability and potential as electrode materials for Li-ion batteries.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Inorganic & Nuclear
Daniel E. Trujillo-Gonzalez, Gerardo Gonzalez-Garcia, J. Oscar C. Jimenez-Halla, Miquel Sola
Summary: This study computationally investigates the reaction of (CAAC)2Be and a series of bidentate ligands with phenyl halides. After the initial C-X oxidative addition, migration of the phenyl group occurs towards the less electronegative heteroatom. The study highlights the important role of bidentate non-innocent ligands in providing the required electrons for the initial Ph-X oxidative addition.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Daniel E. Trujillo-Gonzalez, Gerardo Gonzalez-Garcia, J. Oscar C. Jimenez-Halla, Miquel Sola
Summary: This study investigates the ability of beryllium compounds to activate C-X bonds and finds that bidentate ligands play a key role in providing the necessary electrons.
DALTON TRANSACTIONS
(2023)
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)