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Nanomaterials for Lithium(-ion) Batteries
Published in Sam Zhang, Materials for Devices, 2023
Ultimately, the primary concern of LiMn2O4 is the severe capacity fade, even in the 4-V region. This fade originates from several aspects involving Jahn–Teller distortion and a surface passivation layer (Li2Mn2O4) forming after cycling. The incompatibility between the surface-distorted tetragonal crystal system and the cubic crystal system inside the particles severely deteriorates the structural integrity affecting Li+ diffusion and the conductivity between the particles, resulting in capacity loss [25]. The main factor for capacity fade is transition metal dissolution (Mn dissolution), stemming from the reaction of electrolyte salt LiPF6 with trace amounts of water in the electrolyte. The parasitic side reactions produce HF to further induce a disproportionation of Mn3+ into Mn4+ and Mn2+, while Mn2+ would dissolve in electrolyte [26]. Another factor for capacity fade is the decomposition of the electrolyte. When operating at a high voltage, electrolyte tends to decompose, and Li2CO3 film is formed on the surface of the material, increasing the polarization of the cell, resulting in capacity attenuation.
Reciprocal Lattices
Published in Dong ZhiLi, Fundamentals of Crystallography, Powder X-ray Diffraction, and Transmission Electron Microscopy for Materials Scientists, 2022
The reciprocal lattice is mathematically constructed based on the direct lattice for the convenience of calculations and treating diffraction problems. The reciprocal lattice does not physically exist. The orientations and dimensions of a direct lattice and its reciprocal lattice are coupled rigidly. The reciprocal lattice is used to make various crystallographic and diffraction calculations, although its utility is not obvious when working with the cubic crystal system. The reciprocal lattice calculation is a powerful tool when working with low-symmetry crystal systems, and solving electron diffraction patterns.
Physical Methods for Characterizing Solids
Published in Elaine A. Moore, Lesley E. Smart, Solid State Chemistry, 2020
What are the spacings of the 100, 110, and 111 planes in a cubic crystal system of unit cell dimension a? In what sequence would you expect to find these reflections in a powder diffraction photograph?
Facile solvothermal syntheses of isostructural lanthanide(III) formates: Photocatalytic, photoluminescent chemosensing properties, and proficient precursors for metal oxide nanoparticles
Published in Journal of Coordination Chemistry, 2021
Sidra Farid, Saima Ameen, Shahzad Sharif, Madiha Tariq, Israr Ahmad Kundi, Onur Sahin, Muhammd Hassan Sayyad, Islam Ullah Khan
XRD crystallographic patterns of nano-crystalline Pr6O11 and CeO2 are represented in Figures S6 and S7. The diffraction peaks at 2θ value 28.15, 32.51, 46.77, 55.26 and 75.30 were associated with cubic Pr6O11 having lattice planes of (111), (200), (220), (311) and (331) with high crystallinity and well-indexed with the reported pattern in JCPDS card number (41-1219). It exhibited lattice parameters of the cubic crystal system 0.546 nm with the space group Fm-3m. While the nanoparticles of ceria showed the characteristic diffraction pattern with 2θ values of 28.32, 32.65, 47.11, 55.75, 58.41, 68.78, 76.48, and 78.46 that correspond to the (111), (200), (220), (311), (222), (400) and (331) planes. The data obtained are indexed to the cubic crystal system with space group Fm-3m and corresponds to JCPDS card number 34-0394.
Synthesis, structure and properties of a 3D coordination polymer based on tetranuclear copper(I) and a tetra(triazole) ligand
Published in Journal of Coordination Chemistry, 2020
Zhi-Xiang Wang, Hai-Xin Tian, Miao Zha, Min Li, Bao-Long Li, Hai-Yan Li
Cu(I) coordination polymer 1 crystallizes in the cubic crystal system and Pn-3 space group. 1 exhibits a two-fold interpenetrating (4,12)-connected 3D topology containing the [Cu4Br] tetranuclear copper cluster building block with a point symbol of {44.62}3{424.640.82}. The disordered OH- anion was deleted with the SQUEEZE method. The asymmetric unit of 1 consists of a third of the Cu(I) cation (Cu1), one ttpe ligand, a twelfth of the coordinated Br- anion (Br1) and a sixth of the free Br- anion (Br2). In 1, the coordinated Br- anion (Br1) is located at the center of the Cu4 regular tetrahedron and coordinates with four copper(I) cations (Cu1) with the Cu1-Br1 bond length 2.4362(10) Å and Cu-Br1-Cu bond angles 109.5°, and constructs the [Cu4Br] cluster (Figure 1). Cu(I) cation (Cu1) is located in a slightly distorted tetrahedral geometry (Figure S2 in the ESI†) and coordinated by 4-position triazole nitrogen atoms from three ttpe ligands [Cu1-N1 2.058(4) Å] and one Br- anion [Cu1-Br1 2.4362(10) Å] (Table 2). The bond angles N1-Cu1-Br1 and N-Cu1-N are 114.12(12) and 104.44(14)°, respectively.
Electrochemical 2,4-dichlorophenol sensor based on porous nanostructured ZnS/C nanocomposite derived from zeolite imidazole framework
Published in Journal of Coordination Chemistry, 2022
Gaihua Li, Huiyuan Liu, Jiangli Zhai, Lei Wang, Jing Zhang
The synthetic route of ZnS/C nanocomposite is shown in Scheme 1 and the synthetic method of ZnS/C is shown in Supporting Information. In the crystal structure of ZnS, Zn(II) ion was coordinated by four sulfur atoms to generate a tetrahedron and each sulfur is attached to four zinc ions that formed a three-dimensional structure with one-dimensional channels (Figure 1(a,b)). The crystal structure of ZnS belongs to cubic crystal system and the space group is F3m. According to the N2 sorption measurement at 77 K and the pore-size distribution calculated using Barrett-Joyner-Halenda (BJH) method, the composite shows a relatively wide pore-size distribution of 20 ∼ 60 nm (Figure 1c).