Article
Chemistry, Physical
Thiago A. Moura, Wellington Q. Neves, Rafael S. Alencar, Y. A. Kim, M. Endo, Thiago L. Vasconcelos, Deyse G. Costa, Graziani Candiotto, Rodrigo B. Capaz, Paulo T. Araujo, Antonio G. Souza Filho, Alexandre R. Paschoal
Summary: The unique electronic and vibrational properties of linear carbon chains (LCCs) have attracted attention recently. Raman spectroscopy has been widely used to identify LCC and study its properties. This study investigates the optical resonance window of LCCs encapsulated by multi-walled carbon nanotubes (MWCNTs) and a Raman signature assigned to the LCC's longitudinal acoustic phonon mode. First-principles calculations support the conclusions.
Article
Chemistry, Multidisciplinary
Xinyu Xu, Jingjing Cao, Yudi Zhang, Fukai Yang, Yuyuan Deng
Summary: Polyimide foams (PIFs) were synthesized using in situ polymerization and the effects of different contents and diameters of multi-walled carbon nanotubes (MWCNTs) on the properties of the composites were studied. The results showed that an appropriate amount of MWCNTs can significantly improve the mechanical properties and thermal stability of PIFs.
Article
Physics, Multidisciplinary
Jianan Yuan, Kang Xia, Chi Ding, Xiaomeng Wang, Qing Lu, Jian Sun
Summary: A series of metal nitrides with chain-like polynitrogen were studied, and they were found to be capable of storing a large amount of chemical energy, with high detonation pressures and velocities.
MATTER AND RADIATION AT EXTREMES
(2022)
Article
Chemistry, Multidisciplinary
Viviane V. Nascimento, Wellington Q. Neves, Rafael S. Alencar, Guanghui Li, Chengyin Fu, Robert C. Haddon, Elena Bekyarova, Juchen Guo, Simone S. Alexandre, Ricardo W. Nunes, Antonio G. Souza Filho, Cristiano Fantini
Summary: This study explains the mechanism behind the strong enhancement of Raman signals of sulfur chains encapsulated by single-wall carbon nanotubes, and demonstrates the influence of excited nanotube-chain-hybrid electronic states on the signal enhancement through experimental observations and theoretical calculations.
Article
Engineering, Environmental
Yunjin Yao, Hongyu Yin, Yangyang Zhang, Fengyu Wei, Hongwei Hu, Yinghao Tang, Shaobin Wang
Summary: The study developed a new bifunctional catalyst Fe-Cu@N-C for efficient degradation of organic pollutants and reduction of toxic Cr-VI, with superior activity and stability attributed to bimetallic active sites and high N-doped level.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Inorganic & Nuclear
Anna A. Vorfolomeeva, Nikolay A. Pushkarevsky, Victor O. Koroteev, Nikolay V. Surovtsev, Andrey L. Chuvilin, Elena V. Shlyakhova, Pavel E. Plyusnin, Anna A. Makarova, Alexander V. Okotrub, Lyubov G. Bulusheva
Summary: This study presents a method for high-yield phosphorus filling of commercial single-walled carbon nanotubes (SWCNTs) and efficient removal of phosphorus deposits from the external nanotube surface. By investigating different precursors, synthesis temperatures, and solvents, high-purity phosphorus filling is achieved. The crystallization of fibrous red phosphorus is confirmed by high-resolution transmission electron microscopy and Raman spectroscopy. Thermogravimetric analysis and X-ray photoelectron spectroscopy analysis determine the phosphorus content and form.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Yifan Zhang, Kecheng Cao, Takeshi Saito, Hiromichi Kataura, Hans Kuzmany, Thomas Pichler, Ute Kaiser, Guowei Yang, Lei Shi
Summary: This study investigated the diameter-dependent synthesis of GNRs using SWCNTs of different average diameters, and found that the width of GNRs can be tailored by the diameter of SWCNTs. Particularly, SWCNTs with an average diameter of 1.3 nm produced the highest yield of 6 and 7 armchair GNRs, indicating potential for high-yield production of certain GNRs in large scale applications.
Article
Chemistry, Physical
Yoku Inoue, Kohei Hayashi, Motoyuki Karita, Takayuki Nakano, Yoshinobu Shimamura, Keiichi Shirasu, Go Yamamoto, Toshiyuki Hashida
Summary: Changing the diameter of MWCNTs can affect the mechanical and electrical properties of MWCNT yarns, and the improvements in performance are due to the increase in the surface area of MWCNTs in the yarn structure.
Article
Chemistry, Analytical
R. Ridhi, Neeru, Seema Gautam, G. S. S. Saini, S. K. Tripathi, J. S. Rawat, Pika Jha
Summary: The study focuses on analysing the effect of central metal atom on the interaction behavior between single walled carbon nanotubes (SWCNT) and metal phthalocyanines (MPcs) with ammonia gas. Three different metal phthalocyanines were tested for their variations in resistance with exposure to ammonia gas. The results showed that the addition of metal phthalocyanines increased the surfaceinterface interaction of SWCNT with ammonia gas, with SWCNT-TiOPc exhibiting the maximum interaction.
SENSORS AND ACTUATORS B-CHEMICAL
(2021)
Article
Pharmacology & Pharmacy
Katsuhide Fujita, Sawae Obara, Junko Maru
Summary: This study investigated the toxicity of submicron-diameter carbon fibers (SCFs) with different diameters and lengths on the lungs and cells. The results showed that the diameter and length of SCFs were associated with their pulmonary toxicity and cytotoxicity. Additionally, the SCFs did not induce genotoxicity. These findings provide new evidence for evaluating the potential toxicity of SCFs with different manufacturing processes or physicochemical properties.
Article
Materials Science, Multidisciplinary
Hongbing Shi, Junxian Chen, Shengping Yu
Summary: The adsorption of CO, O2 and N2 on Pt-capped armchair and zigzag SWCNTs was studied using density functional theory. It was found that CO showed strong chemical adsorption, while O2 and N2 exhibited weak adsorption. The Pt-capped SWCNTs could potentially be used as CO sensors, with CO acting as the electron donor and SWCNT-Pt as the electron receptor.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Alejandro Lopez-Moreno, Susana Ibanez, Sara Moreno-Da Silva, Luisa Ruiz-Gonzalez, Natalia Martin Sabanes, Eduardo Peris, Emilio M. Perez
Summary: Mechanically interlocked derivatives of carbon nanotubes (MINTs) are interesting and stable nanotube products. This study explores the encapsulation of single-walled carbon nanotubes within a palladium-based metallosquare, revealing the sensitivity of MINT formation to structural variations of the metallo-assemblies. The study also demonstrates the potential application expansion of MINTs through supramolecular coordination complexes.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Materials Science, Ceramics
R. Fernandez-Loyola, M. Muthuvel, A. B. Hernandez-Maldonado, J. A. Menchaca-Rivera, J. F. Perez-Robles, O. Solorza-Feria, G. G. Botte
Summary: A new nanocomposite material involving multi-walled carbon nanotubes (MWCNTs) was synthesized using the traditional chemical vapor deposition (CVD) method. The morphological and structural characterization, as well as the electrochemical evaluation, indicate the potential application of these nanocomposites as efficient electrocatalysts.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Multidisciplinary
D. Rybkovskiy, V. O. Koroteev, A. Impellizzeri, A. A. Vorfolomeeva, E. Yu Gerasimov, A. Okotrub, A. Chuvilin, L. G. Bulusheva, C. P. Ewels
Summary: The missing 1D-phosphorus allotrope, red phosphorus chains, is identified to form inside tip-opened single-walled carbon nanotubes. Comprehensive experimental and theoretical studies reveal the presence of linear P8]P2 chains and fibrous cross-linked double-chains of red phosphorus in intermediate diameter cavities. These findings provide a comprehensive understanding of the diameter dependence of confined 1D-phosphorus allotropes.
Article
Chemistry, Multidisciplinary
Hiroyuki Ikemoto, Toshihiko Fujimori, Takafumi Miyanaga, Reo Kawaguchi, Koki Urita, Masao Tabuchi
Summary: This study investigated the structures of two Se chains confined inside single-walled carbon nanotubes (SWCNTs), revealing that the chains were linear and parallel. The covalent bond between Se and SWCNT was found to be stronger than that between Se and trigonal Se (t-Se). The interaction between chains was attributed to the overlap of electronic orbitals, and the disappearance of this overlap in the encapsulated Se chains enhanced the covalent bonds.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Yang Wang
Summary: Resonance is a fundamental concept in chemistry, with two distinct theories based on wave functions and density matrices respectively. The natural resonance theory, although more popular, has inherent limitations, while the wave-function-based resonance theory seems to provide a more reasonable explanation and valuable insights into chemical problems.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Yanan Li, Jie Han, Zhilong Xu, Rufang Zhao, Yang Wang, Rong Guo
Summary: The study developed N, P, O-Carbon as highly active nonmetal electrocatalysts for oxygen reduction reactions (ORR), showing good electrocatalytic performance. The high activity associated with heteroatom doping was elucidated by X-ray photoelectron spectroscopy and density functional theory. These conclusions may guide the reasonable design of other heteroatom-doped carbon for wider applications.
Article
Chemistry, Organic
Daqian Wang, Jing Sun, Ru-Zhang Liu, Yang Wang, Chao-Guo Yan
Summary: The InBr3-catalyzed reaction efficiently synthesized polysubstituted tetrahydrospiro[carbazole-1,3'-indolines] with good yields and exhibited excellent diastereoselectivity in generating different diastereoisomers compared to the TfOH-catalyzed reaction. The reaction mechanism involved the in situ generation of reactive dienophilic 3-alkenylindole, the Diels-Alder reaction, and the Lewis acid controlled diastereoisomerization process.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Ruyi Li, Yang Wang
Summary: Inspired by the special structures of Ti-doped boron nitride fullerenes, this computational study investigated Ti(BN)(14) as a catalyst for CO oxidation, showing potential high catalytic activity and the advantage of avoiding aggregation of single atoms.
Article
Chemistry, Multidisciplinary
Na Wang, Hang Yao, Qi Tao, Jing Sun, Hao Ma, Yang Wang, ChengCheng Zhou, Hongying Fan, Hongxia Shao, Aijian Qin, Dawei Su, Chenyin Wang, Hui Chong
Summary: Two amphiphilic TPE E/Z isomers with aggregation induced emission (AIE) property were synthesized and characterized. The molecules showed positive correlation between their fluorescent intensity and the viscosity of the liquid. The Z-TPE isomer exhibited higher sensitivity to viscosity compared to the corresponding E-TPE isomer. These molecules also served as fluorescent sensors for mechanical properties of hydrogel and displayed low cytotoxicity in normal tissue cell line.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Medicinal
Yang Wang
Summary: The Fries rule, a simple and intuitive tool for predicting dominant Kekule structures of PAHs, has been verified, generalized, and quantified based on resonance analysis of over 1500 PAH and fullerene molecules. The extended rules, counting the numbers of electrons within all rings, can rank the relative importance of Kekule structures for all considered systems. The study also proposes a graph-based aromaticity indicator applicable to PAHs and fullerenes, which does not require any quantum chemistry calculations and can predict molecular properties related to local aromaticity.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Physical
Yang Wang
Summary: In this study, a quantitative theory of chemical resonance based on Clar-type resonance structures (Clar resonators) was developed and applied to a large-scale resonance analysis of PAHs. By constructing wave functions of Clar resonators and calculating their weights and one-electron energies, the general validity of the Clar rule was confirmed. Based on this analysis, three extended Clar rules and a unified quantitative model were proposed.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Qiuping Zhou, Dawei Wang, Yang Wang, Lubin Ni, Huaihao Zhang, Jing Zhao
Summary: Rechargeable aluminum-ion battery (RAIB) has gained considerable attention due to its high theoretical specific capacity, abundant elemental source, and low cost. However, the limited availability of positive electrode materials with highly reversible aluminum storage ability has hindered the development of better RAIB. In this study, researchers prepared ultrathin MoS1.68Se0.32 alloy nanoflakes as the positive electrode material for RAIB and demonstrated the feasibility of reversible Al3+ intercalation.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Jiajun Ma, Yang Wang
Summary: Inspired by the recent discovery of Ti-doped BN nanocages, this study reports the design of novel boron nitride nanoribbons doped with fourth-row transition metals and predicts their structural and electromagnetic properties. The results show that metal doping can change the magnetic properties and significantly reduce the band gap of the nanoribbons. Additionally, the carrier mobility in the doped materials is greatly enhanced compared to the pristine nanoribbon.
Article
Chemistry, Organic
Xuyang Chen, Yuanyuan Sun, Yang Wang
Summary: This work presents a comprehensive computational study on the hydrogenation of carboncone, revealing the mechanism of regioselectivity and proposing a predictive model. These findings provide valuable guidance for the functionalization of carboncones and related nanocarbons.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Fan Guo, Mei Yang, Rui-Xia Li, Zong-Zheng He, Yang Wang, Wei-Yin Sun
Summary: In this study, ultrathin Ti-MOF NH2-MIL-125 nanosheets with maximum exposed highly active facets were successfully fabricated, showing remarkably high CO2 photoreduction performance compared to conventional catalysts.
Article
Chemistry, Physical
Yingwei Liu, Siwei Sun, Yang Wang, Chao Wang, Qin-Chao Wang, Jie Han, Rong Guo
Summary: The synergistic effect of a pomegranate composite structure and S detect has been used to address the poor conductivity and volume variation issues of high-capacity sulfide anodes. The optimized MnS/C composite anode showed significantly improved cycling performance.
JOURNAL OF POWER SOURCES
(2022)
Article
Chemistry, Inorganic & Nuclear
Jing Sun, Yang Wang
Summary: This study investigates the reactivity of the paramagnetic EMF TiSc2N@C80 towards cycloaddition with s-cis-1,3-butadiene. The study reveals a significantly enhanced reactivity and a different reaction mechanism compared to empty C80 and Sc3N@C80. The findings suggest that the spin on Ti plays a crucial role in modifying the chemical behavior of paramagnetic EMFs.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Ke Du, Yang Wang
Summary: The recent successful preparation of infinitene has attracted widespread attention due to its aesthetic appeal and synthetic challenge. Spectroscopic measurements and computational investigations suggest that infinitene holds fundamental significance and potential applications in chiroptics, optoelectronics, asymmetric synthesis, and supramolecular chemistry. However, the lack of molecular diversity has limited the further exploitation of infinitene as a fascinating new form of nanocarbons.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Lulu Qu, Xiaoquan Feng, Limin Ma, Yang Wang, Seik Weng Ng, Guang Yang
Summary: The structure of acidic copper(I) 4-nitro-3,5-bis(trifluoromethyl)pyrazolate (Cu(3)pz(3)) and its adducts with thiophenic compounds were characterized. Cu(3)pz(3) can be used as an efficient model compound for metal-promoted adsorptive desulfurization.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Jie Sheng, Jingshan He, Dun Ma, Yuanbo Wang, Wu Shao, Tian Ding, Ronghao Cen, Jingwen He, Zhihao Deng, Wenjun Wu
Summary: This study presents an innovative approach to improve the photovoltaic conversion characteristics and stability of perovskite solar cells through carbon electrode interface modification. By in-situ polymerization and carbonization on the surface of nano-graphite, a dendritic structure carbon electrode is formed, reducing the work function and aligning the energy levels with perovskite. This leads to improved charge and hole collection efficiency, resulting in increased photovoltaic conversion efficiency. Furthermore, the modified carbon electrode-based perovskite solar cells exhibit exceptional stability, maintaining high efficiency even without encapsulation.
Article
Chemistry, Physical
Guodong Shi, Jian Song, Xiaoxiao Tian, Tongtong Liu, Zhanjun Wu
Summary: This study demonstrates the improvement of mechanical properties and reduction of coefficient of thermal expansion (CTE) in graphene oxide (GO)/epoxy (EP) nanocomposites by enhancing the interface between GO and EP through functionalization and incorporating rigid-flexible interphases. The results reveal that the SiO2-PEA-GO hybrid exhibits better strengthening and toughening effects, as well as lower CTE, compared to the PEA-GO hybrid due to the presence of rigid-flexible interfaces with higher bonding strength and better energy dissipation mechanisms. Additionally, the nanocomposites with longer polyetheramine (PEA) molecules in the rigid-flexible interphases demonstrate higher strength and toughness, while maintaining a lower CTE. This work provides a promising strategy for constructing adjustable flexible-rigid interfacial structures and offers potential in developing GO/EP nanocomposites with high mechanical properties and low CTE.
Article
Chemistry, Physical
Rafal Janus, Sebastian Jarczewski, Jacek Jagiello, Piotr Natkanski, Mariusz Wadrzyk, Marek Lewandowski, Marek Michalik, Piotr Kustrowski
Summary: In this study, a facile procedure for the synthesis of CMK-1 and CMK-2 carbon replicas was developed. The method utilizes basic laboratory equipment and a renewable carbon source, and operates under mild conditions. The resulting carbon mesostructures exhibit exquisite replication fidelity and structural homogeneity, making them suitable for applications in various fields.
Article
Chemistry, Physical
Anqi Wang, Connor J. MacRobbie, Alex Baranovsky, Jean-Pierre Hickey, John Z. Wen
Summary: In this study, a novel polymer-free nanothermite aerogel with a wide range of nanoparticle loading was fabricated via a new additive manufacturing process. The SEM images showed a unique porous structure formed by extra thin rGO sheets, wrapping individual nanothermite clusters. The DSC-TGA results and high-speed combustion videos confirmed the enhanced energetic performance of the printed specimen.
Article
Chemistry, Physical
Wanze Wu, Misheng Zhao, Shiwei Miao, Xiaoyan Li, Yongzhong Wu, Xiao Gong, Hangxiang Wang
Summary: Superhydrophobic solar-driven interfacial evaporator is an energy-efficient technology for seawater desalination, which is easily fabricated using robust photothermal superhydrophobic coating and substrate. The created bifunctional coating on the melamine sponge substrate shows stable and highly efficient photothermal and superhydrophobic performance for seawater desalination. This superhydrophobic solar-driven interfacial evaporator is expected to have wide applications in seawater desalination.
Article
Chemistry, Physical
Zichen Xiang, Zhi Song, Tiansheng Wang, Menghang Feng, Yijing Zhao, Qitu Zhang, Yi Hou, Lixi Wang
Summary: This study presents a co-electrospinning synthesis strategy to fabricate lightweight and porous Co@C composite nanofibres with wideband microwave attenuation capacity. The addition of MOF-derived Co additives enhances the low-frequency absorption performance.
Article
Chemistry, Physical
J. Snow, C. Olson, E. Torres, K. Shirley, E. Cazalas
Summary: This study investigates the use of a perovskite-based graphene field effect transistor (P-GFET) device for X-ray detection. The sensitivity and responsivity of the device were found to be influenced by factors such as X-ray tube voltage, current, and source-drain voltage. Simulation experiments were conducted to determine the dose rate and energy incident on the device during irradiation.
Article
Chemistry, Physical
Zuzana Jankovska, Lenka Matejova, Jonas Tokarsky, Pavlina Peikertova, Milan Dopita, Karolina Gorzolkova, Dominika Habermannova, Michal Vastyl, Jakub Belik
Summary: This study provides new insights into microwave-assisted pyrolysis of scrap tyres, demonstrating that it can produce microporous carbon black with potential application in xylene adsorption. Compared to conventional pyrolysis, microwave pyrolysis requires less time and energy while maintaining similar adsorption capacity.
Article
Chemistry, Physical
Max Bommert, Bruno Schuler, Carlo A. Pignedoli, Roland Widmer, Oliver Groning
Summary: A detailed understanding of the interaction between molecules and two-dimensional materials is crucial for incorporating functional molecular films into next-generation 2D material-organic hybrid devices. This study compares the energy level alignment of different-sized fullerenes on a Moire superstructure and finds that C-84 fullerenes can be either neutral or negatively charged depending on slight variations of the electrostatic potential. This discovery suggests a new path to achieve ambipolar charge transfer without overcoming the electronic gap of fullerenes.
Article
Chemistry, Physical
Yuanjing Cheng, Xianxian Sun, Ye Yuan, Shuang Yang, Yuanhao Ning, Dan Wang, Weilong Yin, Yibin Li
Summary: The dual-structure aerogel (GS) consisting of flexible silica fibers and graphene honeycomb structures exhibits excellent resilience, flexibility, and reliability. It also shows remarkable wave absorbing performance, making it an ideal candidate for microwave absorption applications such as flexible electronics and aerospace.
Article
Chemistry, Physical
Shuyu Fan, Yinong Chen, Shu Xiao, Kejun Shi, Xinyu Meng, Songsheng Lin, Fenghua Su, Yifan Su, Paul K. Chu
Summary: Graphene coatings are promising solid lubrication materials due to their mechanical properties. This study presents a new method for in situ deposition of high-quality graphene coatings on hard substrates using NiCo solid solution and competitive reaction strategies. The graphene coating deposited on substrates with deep NiCo solid solution demonstrates superior low-friction and durability.
Article
Chemistry, Physical
Mengdi Wang, Sanyin Qu, Yanling Chen, Qin Yao, Lidong Chen
Summary: The improved thermoelectric properties of conducting polymers are achieved by selectively capturing single-walled carbon nanotubes (SWNTs) in a conducting polymer film, leading to increased carrier mobility and reduced thermal conductivity. The resulting composite film exhibits significantly higher electrical conductivity and lower thermal conductivity compared to films with a mixture of SWNTs. This work provides a convenient and efficient method to enhance the thermoelectric properties of conducting polymers.
Review
Chemistry, Physical
Heng Wei, Weihua Li, Kareem Bachagha
Summary: This article reviews the research progress of carbon nanotube-based microwave absorbing materials (MAMs) in recent years, covering the fundamental theory, design strategies, synthesis methods, and future development directions.
Article
Chemistry, Physical
Chenguang Shi, Junlong Huang, Zongheng Cen, Tan Yi, Shaohong Liu, Ruowen Fu
Summary: This study developed a high-performance Li metal host material, which achieved dendrite-free Li deposition with a low nucleation overpotential and high Coulombic efficiencies through the combination of Ti3C2-g-PV4P sheets and Ag nanoparticles. The full cells assembled with the Li@host anode and LiFePO4 cathode exhibited high discharge capacity and excellent cycling stability, demonstrating a perspective design for future energy storage devices.
Article
Chemistry, Physical
Tomotaro Mae, Kentaro Kaneko, Hiroki Sakurai, Suguru Noda
Summary: A new partial prelithiation method for SiO/C-CNT electrodes was developed, which showed reduced irreversible capacity and achieved high energy densities with good reversibility. The method allows for precise control of the degree of prelithiation and is applicable to various chemistries.
