Article
Engineering, Environmental
Tao Wang, Lu Xue, Lewen Zheng, Shaopan Bao, Yonghong Liu, Tao Fang, Baoshan Xing
Summary: Biomass-derived N/S dual-doped porous carbon adsorbent MZ-NSPC exhibits excellent adsorption capacity, short equilibrium time, and good reusability due to its large BET surface area, hierarchically porous structure, and N/S heteroatoms dual-doping. Doped N, S heteroatoms synergistically promote the adsorption performance, mainly targeting oxidized-S and pyridinic-N sites. The adsorption mechanisms for bisphenol F involve hydrophobic interaction, pi-pi interaction, and hydrogen bonding interaction, while those for bisphenol S are mainly controlled by pi-pi interaction. This study not only advances the development of low-cost and sustainable heteroatom-doped carbon materials but also systematically investigates the adsorption mechanisms for bisphenols.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Tobias Wesp, Tim Bruckhoff, Julian Petry, Hubert Wadepohl, Lutz H. Gade
Summary: This article reports the synthesis, electrochemical and photo physical properties of ortho substituted octaazaperopyrenes (OAPPs), a new class of functional dyes with strong electron-accepting behavior. The OAPP target compound was successfully prepared by introducing amino substituents at specific positions. Twisted bay chlorinated OAPP derivatives were obtained through subsequent reactions, and the target compound was obtained via dehalogenation and oxidation. The article also discusses the influence of the number and location of substituents on the frontier orbital energies of the peropyrene structure.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Engineering, Environmental
Kaijie Xu, Kangping Cui, Minshu Cui, Xueyan Liu, Xing Chen
Summary: In this study, a mesoporous carbon nitride photocatalyst (TCN) containing carbonyl heterocycles was successfully obtained with significantly enhanced peroxydisulfate (PDS) photocatalytic activity. The modulation mechanism of carbonyl heterocycle introduction on surface electronic structure and band structure was discussed using a combination of experiments and theoretical calculations. The introduction of carbonyl and vicinal C modulated the electronic structure of the catalyst and enhanced the adsorption of PDS, promoting the electronic interaction between TCN and PDS molecules. The study provided a fresh perspective on the rational design of carbon nitride-based catalysts and the reaction mechanism of persulfate advanced oxidation systems.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Xin Xiao, Hao Zhang, Ying Xiong, Feng Liang, Ying-Wei Yang
Summary: The iridium-doped electrocatalysts designed using a synthetic macrocycle as the precursor possess abundant N-doped and mesoporous structures without the need of additional N sources and templates. The catalysts exhibit superior catalytic performance for the hydrogen evolution reaction, reaching high Faradaic efficiency and low overpotentials, outperforming commercial Pt/C.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Physical
Dan Liu, Zicheng Wang, Zichen Guo, Yuan Tian, Cheng Wang
Summary: In this study, a necklace-like structure of CuCoN0.6 nanoparticles anchored on N-doped carbon nanofibers was prepared for the freestanding sulfur host in Li-S batteries. The bimetallic nitride exhibited enhanced chemical adsorption and catalytic activity, leading to high sulfur utilization and fast ion diffusion. The S@CuCoN0.6/NC cathode showed stable cycling performance with a low capacity attenuation rate and exceptional capacity retention even at high sulfur loading.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Tao Xu, Tao Qian, Jie Wang, Hiroyuki Hirakata, Takahiro Shimada, Takayuki Kitamura
Summary: This study presents a new design principle to achieve atomic-scale polar topological structures in 2D materials through defects. It expands the range of polar topology from perovskite oxides to 2D materials and enables the exploration of high-density topological configurations for meron/skyrmion-based functional nanodevices.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Anastasiia A. Poltarak, Vladimir A. Logvinenko, Andrey N. Enyashin, Sofya B. Artemkina, Pavel A. Poltarak, Mariia N. Ivanova, Ekaterina D. Grayfer, Vladimir E. Fedorov
Summary: In this study, the thermal decomposition kinetics of amorphous pentasulfides MoS5 and WS5 were investigated using thermogravimetric analysis. The decomposition process consists of two consecutive steps, with diffusion being the rate-controlling step. The final decomposition products are weakly crystalline disulfides.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Polymer Science
Xinxin Wang, Yanan Zhao, Ting Wang, Yan Liang, Xiangzhong Zhao, Ke Tang, Yutong Guan, Hua Wang
Summary: COOH-CDs, prepared through a low-cost hydrothermal process, exhibit strong blue emission and high selectivity towards Fe3+. With good biocompatibility and excellent detection performance for Fe3+, COOH-CDs are employed as a fluorescent sensor towards LF, showing satisfying results.
Article
Materials Science, Paper & Wood
Mohamed Said El Ouahabi, Md Bin Yeamin, Raquel Rivas, Farid El Guemmout, Mar Reguero, Anna M. Masdeu-Bulto, Ali Aghmiz
Summary: Vegetal residues combined with nucleophiles can serve as catalysts for carbon dioxide fixation in epoxides to form cyclic carbonates, with the best performance seen in combinations of olive bones, grape waste, date pit, and corn leaves husk residues with tetrabutylammonium bromide. High conversions were achieved at low nucleophile loading under mild conditions. The vegetal wastes were stable under catalytic conditions and recyclable after suitable treatment.
Article
Chemistry, Multidisciplinary
Sungho Kim, Gurwinder Singh, C. Sathish, Puspamitra Panigrahi, Rahman Daiyan, Xunyu Lu, Yoshihiro Sugi, In Young Kim, Ajayan Vinu
Summary: The study demonstrates that triazole-based C3N5 nanorods exhibit good performance in consecutive CO2 capture and conversion by tailoring pore size, basicity, and binding energy.
CHEMISTRY-AN ASIAN JOURNAL
(2021)
Article
Chemistry, Physical
Shuo Cao, Wenzhe Shang, Guang-Lan Li, Zhong-Fa Lu, Xin Wang, Yang Yan, Ce Hao, Suli Wang, Gongquan Sun
Summary: A new N and S dual-doped three-dimensional mesoporous carbon catalyst with excellent ORR performance has been developed, showing great potential for practical applications in energy conversion and storage devices.
Article
Chemistry, Multidisciplinary
Yong Wang, Yilv Guo, Zhaokun Wang, Lin Fu, Yu Zhang, Yongjie Xu, Shijun Yuan, Hongzhe Pan, Youwei Du, Jinlan Wang, Nujiang Tang
Summary: By annealing pristine CNs at 700 degrees C, high-density localized spins were introduced in 2D CNs, leading to strong room-temperature ferromagnetism with the highest reported value of saturated magnetization.
Article
Chemistry, Multidisciplinary
Moumita Mukherjee, Sucharita Mandal, Ayan Datta
Summary: Using ab-initio density functional theory (DFT), the friction at the atomic scale of three different carbon nitride structures (C2N/C2N, C6N6/C6N6, and C6N6/C2N) is compared. The sliding path with the lowest energy corrugations determines the static frictional forces. The homo-layer structures (C2N/C2N and C6N6/C6N6) have higher corrugation energy and higher static lateral forces compared to the hetero-layer structure (C2N/C6N6). The heterostructure has significantly lower corrugation energy due to reduced fluctuation in the interfacial charge density along the sliding pathway. Moreover, the interlayer distance change is smallest for the heterostructure.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Materials Science, Multidisciplinary
Veenu Mehta, Hardev S. Saini, Sunita Srivastava, Manish K. Kashyap, K. Tankeshwar
Summary: The electrochemical characteristics of N-based single and double transition metal V2N/CrVN monolayers were examined. The results showed that both V2N and CrVN monolayers are thermally stable and have a high specific capacity for Li-ion adsorption. The replacement of V-layer by Cr-atomic layer reduces the energy barrier and enhances the cycling rate of the batteries. In addition, the calculated average working voltage of V2N/CrVN monolayers suggests their potential as anode materials in Li-ion batteries.
MATERIALS CHEMISTRY AND PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Piotr Kamedulski, Malgorzata Skorupska, Izabela Koter, Maciej Lewandowski, Victor Karim Abdelkader-Fernandez, Jerzy P. Lukaszewicz
Summary: This paper presents the results of using the gamma irradiation method to obtain N-doped mesoporous activated carbons. The effectiveness of N atom insertion and its influence on the BET surface area and pore structure were evaluated through various characterization techniques. The obtained materials have an exceptionally high N content and show potential for various applications.
Article
Chemistry, Multidisciplinary
Yoshihiro Sugi, Stalin Joseph, Kavitha Ramadass, Sathish Clastinrusselraj Indirathankam, Selvarajan Premkumar, Venkata D. B. C. Dasireddy, Jae-Hun Yang, Ala'a H. Al-Muhtaseb, Qing Liu, Yoshihiro Kubota, Kenichi Komura, Ajayan Vinu
Summary: The isopropylation of naphthalene over USY zeolite resulted in the formation of all eight possible DIPN isomers, operated under kinetic and/or thermodynamic controls at different reaction temperatures. Triisopropylnaphthalene isomers were also formed, with the predominance of certain isomers depending on temperature and reaction period, indicating a combination of kinetic and thermodynamic controls in the selectivities. Large cavities of the zeolite allowed the formation of all TriIPN isomers without steric restriction.
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
(2021)
Article
Chemistry, Physical
Ansari Palliyarayil, Premkumar Selvarajan, Pavan Seethur Prakash, C. I. Sathish, Venkata. D. B. C. Dasireddy, Ajayan Vinu, Nallaperumal Shunmuga Kumar, Sanchita Sil
Summary: Novel materials and methodologies are being developed for the removal of toxic and poisonous carbon monoxide (CO) gas to address serious health and environmental issues. Low-cost and earth-abundant catalysts for CO oxidation are urgently needed due to the expensive existing materials. Experimental findings reveal that the reaction proceeds through Langmuir-Hinshelwood mechanism, with the oxidation state and moisture playing a critical role in Pd catalytic properties on the oxidation of CO.
Article
Chemistry, Physical
Wangsoo Cha, Sungho Kim, Premkumar Selvarajan, Jang Mee Lee, Jefrin Marykala Davidraj, Stalin Joseph, Kavitha Ramadass, In Young Kim, Ajayan Vinu
Summary: Heteroatom doped nanomaterials, such as oxygen-doped carbon oxynitride, have shown promising potential as electrodes for energy storage applications. A single-step approach was used to prepare highly ordered nanoporous carbon oxynitride materials with tailored pore sizes, demonstrating improved reversible capacity and stability in lithium-ion batteries compared to non-porous carbon nitride materials.
Article
Chemistry, Physical
Y. Sugi, S. Joseph, K. Ramadass, C. I. Sathish, S. Premkumar, V. D. B. C. Dasireddy, J. -H. Yang, Ala'a H. Al-Muhtaseb, Q. Liu, Y. Kubota, K. Komura, A. Vinu
Summary: The isopropylation of naphthalene over BEA zeolite was studied to control the selectivities for DIPN and TriIPN isomers using kinetic and thermodynamic controls. The study revealed that the enhanced selectivities for 13,13-DIPN were observed at early stages of the catalysis at 200-300 °C, while TriIPN isomers primarily formed under kinetic control at low temperatures.
MOLECULAR CATALYSIS
(2021)
Article
Chemistry, Multidisciplinary
C. Sathish, S. Premkumar, Xueze Chu, Xiaojiang Yu, Mark B. H. Breese, Mohammed Al-Abri, Ala'a H. Al-Muhtaseb, Ajay Karakoti, Jiabao Yi, Ajayan Vinu
Summary: The preparation of a novel graphitic microporous carbon nitride with a tetrazine-based chemical structure and the composition of C3N5.4 using ultra-stable Y zeolite as a template and aminoguanidine hydrochloride as the CN precursor has been reported. The material exhibits a unique molecular structure with two tetrazines and one triazine rings, as well as outstanding CO2 adsorption, selective sensing over water molecules and aliphatic hydrocarbons.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Sungho Kim, Gurwinder Singh, C. Sathish, Puspamitra Panigrahi, Rahman Daiyan, Xunyu Lu, Yoshihiro Sugi, In Young Kim, Ajayan Vinu
Summary: The study demonstrates that triazole-based C3N5 nanorods exhibit good performance in consecutive CO2 capture and conversion by tailoring pore size, basicity, and binding energy.
CHEMISTRY-AN ASIAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Yoshihiro Sugi, Selvarajan Premkumar, Stalin Joseph, Kavitha Ramadass, Clastinrusselraj Indirathankam Sathish, Venkata D. B. C. Dasireddy, Jae-Hun Yang, Kenichi Komura, Qing Liu, Yoshihiro Kubota, Ajayan Vinu
Summary: This study systematically assigned four Triisopropylnaphthalene isomers based on their reaction pathways, with different zeolite catalysts playing a significant role in the formation of different isomers. The preferential formation of certain TriIPN isomers was observed depending on the reaction conditions and precursors.
RESEARCH ON CHEMICAL INTERMEDIATES
(2022)
Article
Chemistry, Physical
A. Aseema Banu, S. Sinthika, S. Premkumar, J. Vigneshwaran, Smagul Zh Karazhanov, Sujin P. Jose
Summary: This work uses density functional theory to calculate the adsorption energies of NH3 molecules on MXene layers and finds that NH3 molecules strongly adsorb on Cr2C surfaces. The key role in adsorption is played by the electron density distribution between the negatively charged N of NH3 and the positively charged Cr/Fe surfaces.
Article
Nanoscience & Nanotechnology
Xun Geng, Tianci Chang, Jiaxin Fan, Yu Wang, Xiaotian Wang, Yunlong Sun, Premkumar Selvarajan, Chuang Liu, Chun-Ho Lin, Xiaolin Wang, Jack Yang, Zhenxiang Cheng, Kourosh Kalantar-Zadeh, Xun Cao, Danyang Wang, Ajayan Vinu, Jiabao Yi, Tom Wu
Summary: Cobalt-doped VO2 thin films were successfully fabricated in this study, with the highest doping concentration reducing the transition temperature of VO2 and increasing the luminous transmittance. Experimental and modeling analysis provided a comprehensive explanation of the effects of cobalt doping on VO2 properties, highlighting the promising future of cobalt-doped VO2 in smart window applications.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
C. Sathish, Gopalakrishnan Kothandam, Premkumar Selvarajan, Zhihao Lei, Jangmee Lee, Jiangtao Qu, Ala'a H. Al-Muhtaseb, Xiaojiang Yu, Mark B. H. Breese, Rongkun Zheng, Jiabao Yi, Ajayan Vinu
Summary: In this study, well-defined mesoporous boron carbon nitride (MBCN) with high specific surface area, tunable pores, and nitrogen contents was successfully prepared through chemical polymerization and nano-hard-templating approach. The optimized sample exhibited high specific capacitance, large specific capacity for sodium-ion battery, and excellent CO2 adsorption capacity.
Article
Chemistry, Physical
Bijesh K. Malla, Gaurav Vishwakarma, Soham Chowdhury, Premkumar Selvarajan, Thalappil Pradeep
Summary: This study investigates the existence of ethane clathrate hydrates in ultrahigh vacuum and cryogenic conditions, and observes the formation process of ethane clathrate hydrates from amorphous ethane-water ice mixtures for the first time. This has important implications for understanding the presence of clathrate hydrates in cometary environments.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Mengyao Li, Premkumar Selvarajan, Shuangyue Wang, Tao Wan, Shibo Xi, Xiaopeng Wang, Junmin Xue, Sathish Clastinrusselraj Indirathankam, Xun Geng, Liang Qiao, Ajayan Vinu, Dewei Chu, Jiabao Yi
Summary: A simple stirring method at room temperature was reported to fabricate Cu single atoms (SAs) layer-intercalated MoS2. An ultra-high concentration of Cu SAs was achieved and the intercalated Cu atoms greatly enhanced the stability of MoS2. The MoS2/Cu-SAs showed remarkable thermostability and outstanding catalytic performance. This strategy can be applied to produce SAs of other metals and other 2D nanosheets as host materials, offering a facile and low-cost approach for SAs catalysts.
Article
Chemistry, Physical
Hamid Ilbeygi, Sungho Kim, In Young Kim, Stalin Joseph, Min Gyu Kim, Ajayan Vinu
Summary: Introduction of mesoporous phosphomolybdate (mPMA) with defined mesoporous channels leads to excellent electrode performance and stable specific capacities in lithium-ion batteries (LIBs), indicating its potential as a promising anode material.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Green & Sustainable Science & Technology
Premkumar Selvarajan, Mohammed Fawaz, Ci Sathish, Mengyao Li, Dewei Chu, Xiaojiang Yu, Mark B. H. Breesec, Jiabao Yi, Ajayan Vinu
Summary: A metal-free and highly efficient electrocatalyst was designed with a large number of active sites and high stability for oxygen reduction reaction (ORR) by introducing both porosity and electrochemically active carbon nitride (CN) matrix in graphene nanoplatelets (GNPs). This design strategy showed exceptional ORR activity, stability, and methanol tolerance, potentially opening up a platform for the development of novel electrocatalysts for fuel cells.
ADVANCED ENERGY AND SUSTAINABILITY RESEARCH
(2021)
Review
Materials Science, Multidisciplinary
A. Palliyarayil, H. Saini, K. Vinayakumar, P. Selvarajan, A. Vinu, N. S. Kumar, S. Sil
Summary: Researchers are focusing on the development of porous solid adsorbent materials for air pollution control, with a particular interest in enhancing the adsorption efficiency and specificity of carbon-based adsorbents through surface treatment methods.
EMERGENT MATERIALS
(2021)