A5089148041- Fullerene Chemistry and Applications
- Graphene research and applications
- Boron and Carbon Nanomaterials Research
- Carbon Nanotubes in Composites
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Energetic Materials and Combustion
- Advanced Wireless Communication Techniques
- Advancements in Battery Materials
- Graphene and Nanomaterials Applications
- Crystallography and molecular interactions
- Thermal and Kinetic Analysis
- Error Correcting Code Techniques
- Diamond and Carbon-based Materials Research
- Covalent Organic Framework Applications
- Target Tracking and Data Fusion in Sensor Networks
- Advanced Chemical Physics Studies
- Molecular Junctions and Nanostructures
- Supercapacitor Materials and Fabrication
- Copper-based nanomaterials and applications
- Laser-Ablation Synthesis of Nanoparticles
- Underwater Vehicles and Communication Systems
- Maritime Navigation and Safety
- Adaptive Control of Nonlinear Systems
- Nonlinear Optical Materials Studies
Wuhan University of Technology
2017-2025
Wuhan Polytechnic University
2024-2025
University of Hong Kong - Shenzhen Hospital
2024
Shenzhen University
2024
Friedrich-Alexander-Universität Erlangen-Nürnberg
2017-2024
Suzhou University of Science and Technology
2023-2024
Qilu University of Technology
2024
Shandong Academy of Sciences
2024
University of Jinan
2024
Zhenjiang College
2024
The heats of formation (HOFs) for a series 1,2,4,5-tetrazine derivatives were calculated by using density functional theory (DFT), Hartree Fork (HF), and Møller−Plesset (MP2) as well semiempirical methods. effects different basis bets on HOFs also considered. Our results show that the −CN or −N3 group plays very important role in increasing HOF values derivatives. An analysis bond dissociation energies weakest bonds indicates substitutions −N3, −NH2, −CN, −OH, −Cl are favorable enhancing...
Clusterfullerenes represent a novel branch of endohedral fullerenes, which are characterized by robust fullerene cage with metal clusters encaged in its hollow. Since the discovery nitride clusterfullerenes (NCFs) 1999, family has been significantly expanded within past decade, new members including carbide (CCFs), hydrocarbide (HCCFs), oxide (OCFs), sulfide (SCFs), and carbonitride (CNCFs). We first present classification list all reported to date. For each type clusterfullerenes, we review...
Since the first proposal that fullerenes are capable of hosting atoms, ions, or clusters by late Smalley in 1985, tremendous examples endohedral metallofullerenes (EMFs) have been reported. Breaking dogma monometallofullerenes (mono-EMFs) always exist form M@C2n while clusterfullerenes require multiple (two to four) metal cations stabilize a cluster is unstable as single moiety, here we show an unprecedented monometallic clusterfullerene entrapping yttrium cyanide inside popular C82...
The first directly bonded hybrid of graphene nanoplatelets and C<sub>60</sub> is successfully synthesized using a facile solid-state mechanochemical method <italic>via</italic> ball milling with LiOH as catalyst.
So far the entrapped metals for isolated endohedral metallofullerenes (EMFs) are primarily limited to rare earth metals, whereas except group-IVB whether it is possible entrap other d-block transition remains unclear. Herein we report successful entrapment of group-VB metal vanadium(V) into fullerene cage, affording heretofore unknown V-containing EMFs. Two novel EMFs—VxSc3–xN@C80 (x = 1, 2)—were isolated, and their molecular structures were unambiguously determined by X-ray crystallography...
Titanium/yttrium mixed metal nitride clusterfullerene (MMNCF) TiY2N@C80 has been successfully synthesized, representing the first Ti-containing non-scandium MMNCF. isolated by multistep HPLC and characterized various spectroscopies in combination with DFT computations. The electronic absorption property of was UV–vis–NIR spectroscopy, indicating resemblance to that TiSc2N@C80 broad shoulder absorptions. optical band gap (1.39 eV) is very close (1.43 but much smaller than Y3N@C80(Ih, 1.58...
The first terbium (Tb)-monometallic cyanide clusterfullerene (CYCF), TbCN@C82, has been successfully synthesized and isolated, whose molecular structure was determined unambiguously as TbCN@C2(5)-C82 by single crystal X-ray diffraction. C2(5)-C82 isomeric cage represents a new capable of encapsulating monometallic cluster. C-N bond length within the encaged TbCN cluster is to be 0.94(5) Å, which smaller at least 0.17 Å than those reported triplet bonds in traditional cyanide/nitrile...
The long-sought small-bandgap endohedral fullerene Sc3N@C82 with low kinetic stability has been successfully synthesized and isolated for the first time, which molecular structure unambiguously determined as Sc3N@C82-C2v(39718) by single crystal X-ray diffraction. C82-C2v(39718) (or labeled C82-C2v(9) according to conventional numbering of pentagon rule (IPR) isomers based on Fowler–Monolopoulos spiral algorithm) isomeric cage agrees well its most stable isomer previously predicted DFT...
Patterned graphene-functionalization with a tunable degree of functionalization can tailor the properties graphene. Here, we present new reductive approach combined lithography rendering patterned easily accessible. Two types covalent patterning graphene were prepared and their structures unambiguously characterized by statistical Raman spectroscopy together scanning electron microscopy/energy-dispersive X-ray (SEM-EDS). The reversible defunctionalization processes, as revealed...
Abstract Structured covalent two-dimensional patterning of graphene with different chemical functionalities constitutes a major challenge in nanotechnology. At the same time, it opens enormous opportunities towards tailoring physical and properties limitless combinations spatially defined surface functionalities. However, such highly integrated carbon-based architectures (graphene embroidery) are so far elusive. Here, we report practical realization molecular embroidery by generating regular...
The cooperative control of multiple autonomous surface vehicles (ASVs) is a critical area research due to its significant applications in maritime operations, such as search and rescue environmental monitoring. However, challenges communication delays dynamic topologies often hinder stable practical scenarios. This study addresses these by developing formation method based on consensus theory, focusing both time delay. First, simplified ASV characteristic model established, basic algorithm...
We have performed density functional theory and volume-based thermodynamics calculations to study the effects of different substituents energetic anions on densities, heats formation, properties, formation for a series nitrogen-rich salts composed substituted protonated methylated tetrazole cations with nitrate, dinitroamide, azide, perchlorate anions. The volumes were estimated get crystal densities from electronic structure calculations. (HOFs) cations, anions, lattice energies calculated...
Sensor fault detection and identification (FDI) is a process of detecting validating sensor's status. Because FDI guarantees system reliable performance, it has received much attention recently. In this paper, we address the problem online sensor validation. For physical validation system, contains transitions between normal faulty states, change parameters, fusion noisy readings. A common dynamic state-space model with continuous state variables observations cannot handle problem. To...
Direct proof of the cage connectivities four isomers C96, highest isolable empty fullerene, has been achieved. C96 fractions, which were isolated from fullerene soot by recycling HPLC, chlorinated and resulting single crystals C96Cl22 C96Cl24 studied X-ray diffraction using synchrotron radiation. D2-C96(183)Cl24 (see structure; gray C, green Cl) was obtained in two crystalline modifications. Detailed facts importance to specialist readers are published as ”Supporting Information”. Such...
A new case of chlorination-promoted fullerene cage shrinkage is reported. Chlorination C90 (isolated pentagon rule isomer no. 28) with VCl4 afforded C88Cl22 a nonclassic carbon (NCC) containing 1 heptagon and 13 pentagons including 2 fused pairs flanking the heptagon. The pathway C2 abstraction from suggested on basis density functional theory calculations.
Abstract Density functional theory method was used to study the heats of formation (HOFs), electronic structure, energetic properties, and thermal stability for a series bridged ditetrazole derivatives with different linkages substituent groups. The results show that N 3 group azo bridge (NN) play very important role in increasing HOF values derivatives. effects substituents on HOMO–LUMO gap are combined those calculated detonation velocities pressures indicate NO 2 , NF NN, or...