Article
Materials Science, Ceramics
Baofei Hao, Jinpeng Guo, Lan Zhang, Huizhong Ma
Summary: Photocatalytic processes are promising and ecofriendly approaches to degrade organic pollutants in water. In this study, TiO2/CuO nanofilms doped with Cr were fabricated and optimized, resulting in improved photocatalytic activity. The addition of Cr increased the surface area and surface oxygen vacancies of TiO2 crystals, leading to better degradation performance.
CERAMICS INTERNATIONAL
(2022)
Article
Engineering, Environmental
Chenxi Li, Yadan Guo, Dandan Tang, Yaoping Guo, Guanghui Wang, Hao Jiang, Jun Li
Summary: The study successfully enhanced the photocatalytic activity of Zn-doped AgFeO2 in Cr(VI) reduction and azophloxine decomposition using a DFT calculated Zn-doped AgFeO2 model. The Zn-doped AgFeO2 exhibited higher reducing capacity compared to unmodified AgFeO2, leading to more effective degradation of Cr(VI).
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Physical
Yao Zhang, Haoran Guo, Junkai Ren, Xinpan Li, Wenlu Ren, Rui Song
Summary: This study presents a facile solvothermal strategy to fabricate a binder-free electrode of Fe-S-NiMoO4/MoO3 with nanorods array, which demonstrates that Fe-doping can improve the conductivity and modulate the crystal plane of MoO3. The electrode can stably yield a current density of 500 mA cm-2 at an overpotential of 271 mV under 50 degrees Celsius, meeting the requirements of industrial water electrolysis.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Article
Chemistry, Physical
Lei Tang, Meihan Xia, Shiyu Cao, Xin Bo, Shengbo Zhang, Yunlong Zhang, Xiao Liu, Lizhi Zhang, Liang Yu, Dehui Deng
Summary: This study identifies the reason for a 12-fold enhancement in oxygen evolution reaction (OER) activity by confining high-valence chromium into the lattice of pure cobalt oxyhydroxide. In-situ X-ray absorption spectroscopy reveals the formation of high-valence chromium with shortened Cr-O bond on the OER active site. Electrochemical impedance and infrared spectroscopy provide direct evidence of OOH* on the chromium site. The confined chromium is identified as the active site with improved bonding strength with O*, resulting in a lower overpotential than that on the cobalt site. This research elucidates the dynamic behavior of active sites and provides guidance for improving OER catalysts by introducing high-valence metals.
Article
Engineering, Environmental
Yihao Liu, Nian Ran, Riyue Ge, Jianjun Liu, Wenxian Li, Yingying Chen, Lingyan Feng, Renchao Che
Summary: Mn-doped cobalt phosphide porous nanosheets were designed for efficient oxygen evolution reaction, showing impressive catalytic performance under alkaline conditions. In-situ transformation to Mn-CoOOH provides additional active sites for improved activity. Density functional theory calculations demonstrate that Mn doping enhances gap states near active O sites, facilitating deprotonation reactions and reducing energy barriers for rate-determining steps.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Electrical & Electronic
Talha Kalsoom, S. Nazir
Summary: This study investigates the thermodynamics, electronic, and magnetic properties of Cr2Co1-xCrxAl compound under biaxial strain using ab-initio calculations. The results show that the combined effect of doping and strain significantly modifies the physical properties of the Heusler structures.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2022)
Article
Chemistry, Multidisciplinary
Yongchao Yao, Chaoxin Yang, Shengjun Sun, Hui Zhang, Meiqi Geng, Xun He, Kai Dong, Yonglan Luo, Dongdong Zheng, Weihua Zhuang, Sulaiman Alfaifi, Asmaa Farouk, Mohamed S. Hamdy, Bo Tang, Shuyun Zhu, Xuping Sun, Wenchuang (Walter) Hu
Summary: This study investigates an efficient and stable electrocatalyst for seawater oxidation in alkaline conditions, using Cr-doped CoFe-layered double hydroxide nanosheet array. The catalyst achieves high current densities at low overpotentials and exhibits good stability.
Article
Chemistry, Multidisciplinary
Yiming Liao, Ruochen Peng, Shudi Peng, Wen Zeng, Qu Zhou
Summary: The study investigated the adsorption structures of intrinsic graphene, Ge-doped graphene, and Cr-doped graphene to H-2 and C2H2 gas molecules, finding that the CrG system exhibited superior adsorption performances, especially towards C2H2 gas. The Cr-doped graphene showed the highest adsorption energy and shortest adsorption distance, indicating its promising potential in the field of C2H2 gas-sensing detection.
Article
Chemistry, Physical
Eugenio F. de Souza, Lucia G. Appel
Summary: This study investigates the effects of oxygen vacancies and calcium doping on the surface properties of zirconium oxide using density functional theory. It is found that oxygen vacancies and the presence of calcium can significantly alter the surface properties and enhance the adsorption of CO2 on the surface.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Hira Karim, Shahnaz, Madeeha Batool, Mustansara Yaqub, Muhammad Saleem, Mazhar Amjad Gilani, Sobia Tabassum
Summary: Density functional theory (DFT) simulations were used to investigate the potential of doped phosphorenes for drug delivery, photothermal therapy, and photoimaging guided cancer diagnosis. The results showed that doping increased drug adsorption energy and drug release, as well as enhanced the polarity of the drug-carrying system. Therefore, doped phosphorenes could be potential candidates for photothermal therapy and photoimaging guided cancer diagnosis.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Applied
Tongfei Li, Jingwen Yin, Yu Li, Ziqi Tian, Yiwei Zhang, Lin Xu, Yanle Li, Yawen Tang, Huan Pang, Jun Yang
Summary: The study demonstrates a method for in-situ confinement of S-doped NiO nanoparticles into N-doped carbon nanotube/nanofiber-coupled hierarchical branched superstructures. The resulting S-NiO@N-C NT/NFs exhibit outstanding OER performance and long-term durability, shedding light on the future exploration of economical and efficient electrocatalysts.
JOURNAL OF ENERGY CHEMISTRY
(2021)
Article
Energy & Fuels
Jing Zhang, Zhaolong Li, Guo Bai, Qingbing Wang, Jin Zhang, Wei Wang, Liujiang Zhou, Jiang Yi, Zhiyuan Ma
Summary: In this study, an iron-doped nickel layered silicate was synthesized and found to exhibit outstanding activity as an electrocatalyst for the oxygen evolution reaction (OER) in alkaline environment. The doping of iron ions resulted in stronger adsorption of the *O intermediate, reducing the energy barrier for the potential determining step *OH -> *O, and significantly enhancing the OER activity of the nickel layered silicate. The doped catalyst achieved a minimum OER overpotential of 286 mV at a Fe doping concentration of 30 mol%, 86 mV lower than the undoped catalyst, and maintained favorable OER stability over a 24-hour chronopotentiometry test in 1 M KOH.
Article
Energy & Fuels
Jing Zhang, Zhaolong Li, Guo Bai, Qingbing Wang, Jin Zhang, Wei Wang, Liujiang Zhou, Jiang Yi, Zhiyuan Ma
Summary: Nickel-iron bimetal compounds have shown excellent electrocatalytic performance for the oxygen evolution reaction (OER) in alkaline environment. An iron doped nickel layered silicate (Ni1-xFex)3Si2O5(OH)4 was synthesized and found to greatly enhance the OER activity of nickel layered silicate due to stronger adsorption effect on the *O intermediate. The catalyst achieved a minimum OER overpotential of 286 mV at 30 mol% Fe doping concentration without IR correction and demonstrated favorable stability over a 24-hour test.
Article
Energy & Fuels
Xingqun Zheng, Ling Zhang, Wei He, Li Li, Shun Lu
Summary: Heteroatom doping can effectively regulate electrocatalysts for the oxygen evolution reaction (OER) by modifying the geometric and electronic structures and activating surface sites. This study investigated the surface geometric and electronic structure and activity of nonmetal atoms (X, X = B, C, N, O, P)-doped Ni3S2 (X-Ni3S2) through density functional theory calculation, aiming to screen high-performance Ni3S2-based OER electrocatalysts. The theoretical results showed that among all dopants, C can effectively modulate the surface structure, activate surface sites, weaken the adsorption of key intermediates, decrease the theoretical overpotential, and enable C-Ni3S2 with the best theoretical OER activity among all X-Ni3S2.
Article
Chemistry, Physical
Cailing Peng, Huan Liu, Jifang Chen, Yuanxi Zhang, Liuyang Zhu, Qingmei Wu, Wei Zou, Jianlin Wang, Zhengping Fu, Yalin Lu
Summary: This study introduced metal Ru into spinel oxide NiCo2O4 to adjust the valence state of cations on the surface, finding that the optimum doping concentration of Ru improved the catalytic performance by optimizing the adsorption of the oxygen intermediate. The coordinated charge transfer between Ru, Co, and Ni also accelerated the reaction, providing new insights into the design of OER catalysts.
APPLIED SURFACE SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Rui-Qing Hou, Fan Zhang, Ping-Li Jiang, Shi-Gang Dong, Jin-Shan Pan, Chang-Jian Lin
Article
Biotechnology & Applied Microbiology
Xu-Qiong Huang, Shuai Hao, Zi-Qi Zhou, Bin Huang, Jia-Ying Fang, Yan Tang, Jian-Hua Zhang, Jian-Chuan Xia
ONCOTARGETS AND THERAPY
(2020)
Article
Polymer Science
Zhengliang Bian, Lin Zhang, Shuai Wu, Feng He, Fan Zhang, Jinshan Pan, Guoxin Xie
Summary: In this study, core-shell nanoparticles composed of PTFE as the core and PMMA as the shell were synthesized to improve the uniformity, tensile strength, and wear resistance of the resulting core-shell nanocomposites. The experiments demonstrated enhanced mechanical properties and reduced wear rate of the core-shell nanocomposites compared to mechanically mixed composites with the same composition. The study also investigated the effects of temperature on the friction coefficient and interfacial mechanical properties of the core-shell nanocomposites.
JOURNAL OF APPLIED POLYMER SCIENCE
(2021)
Article
Chemistry, Physical
Yinhu Xi, Fan Zhang, Yijun Shi
Summary: This study conducted a numerical simulation to investigate the effects of microstructures on the electric output performance of TENG. It found that capacitance variations could lead to significant deviations in the OC output voltage, highlighting the importance of considering capacitance variations for accurate prediction.
Article
Materials Science, Multidisciplinary
Fan Zhang, Cem Ornek, Min Liu, Timo Mueller, Ulrich Lienert, Vilma Ratia-Hanby, Leena Carpen, Elisa Isotahdon, Jinshan Pan
Summary: Through synchrotron high-energy XRD measurements and ab-initio DFT calculations, it was found that sulfur promotes hydrogen adsorption on copper. Water-induced surface reconstruction and hydrogen insertion into the microstructure lead to lattice expansion and weakening of metal bonds, ultimately causing lattice degradation and a risk of hydrogen-induced cracking in the presence of sulfur.
Article
Chemistry, Multidisciplinary
Jun Zhao, Di Wang, Fan Zhang, Yuan Liu, Baodong Chen, Zhong Lin Wang, Jinshan Pan, Roland Larsson, Yijun Shi
Summary: This study successfully achieved real-time monitoring of lubricating oils through the contact electrification process of oil-solid contact, demonstrating the possibility of electron transfer from oil to solid surface during this process. By quantitatively analyzing the relationship between liquid adsorption behavior and output ability, a strategy for intelligent diagnosis of lubricating oils was provided.
Correction
Chemistry, Multidisciplinary
Weiqing Kong, Chengwei Wang, Chao Jia, Yudi Kuang, Glenn Pastel, Chaoji Chen, Gegu Chen, Shuaiming He, Hao Huang, Jianhua Zhang, Sha Wang, Liangbing Hu
ADVANCED MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Yumeng Ni, Fan Zhang, Demian Njoku, Yingjie Yu, Jinshan Pan, Meijiang Meng, Ying Li
Summary: The corrosion behavior of the CuAl-NiC abradable seal coating system in chloride solution was systematically investigated, with a focus on the effects of porosity, multiphase, and multilayer structure on corrosion failure. Interphase selective corrosion and interlayer galvanic corrosion were identified as crucial factors leading to the corrosion failure of the system.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Nanoscience & Nanotechnology
Jun Zhao, Di Wang, Fan Zhang, Jinshan Pan, Per Claesson, Roland Larsson, Yijun Shi
Summary: By engineering the wetting properties of solid surfaces, oleophobic/superamphiphobic O-TENGs are achieved, which exhibit excellent electricity generation, significant durability, and superhigh sensitivity for oil monitoring.
NANO-MICRO LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Li Xu, Zihan Chu, Jianhua Zhang, Tingwei Cai, Xingxing Zhang, Yinzhao Li, Hailong Wang, Xiaochen Shen, Raymond Cai, Haifeng Shi, Chunyin Zhu, Jia Pan, Donghui Pan
Summary: In this study, block polymers with different quaternization degrees were successfully coated on the surface of silica nanocapsules using surface-initiated atom transfer radical polymerization (ATRP), and the antiviral drug Molnupiravir was encapsulated in the polymer-coated nanocapsules. The encapsulated drugs were further incorporated into well-defined films by layer-by-layer (LBL) self-assembly. The researchers investigated the effect of polymer quaternization degree and steric hindrance of functional groups on the growth mode, swelling/deswelling transition, and drug-delivering efficiency of the films.
Review
Materials Science, Multidisciplinary
Abhinay Thakur, Ashish Kumar, Savas Kaya, Riadh Marzouki, Fan Zhang, Lei Guo
Summary: Metallic materials are widely used as biomaterials in engineering due to their thermal conductivity, mechanical characteristics, and biocompatibility. Surface modification of biomedical implants is crucial for improving integration with bone tissue, preventing infection, and enhancing cell adherence.
Article
Chemistry, Organic
Ganghu Wang, Jianhua Zhang, Legen Hu, Jiaquan Wang, Chunyin Zhu
Summary: A Cu/hydrazone catalyst has been utilized for coupling reactions of anilines to synthesize diarylamines and azobenzenes. The in situ formation of a copper complex enables the catalyst to function as both a photocatalyst, harnessing photon energy, and a transition metal catalyst, catalyzing organometallic elementary steps. By choosing appropriate hydrazones and bases, the reaction selectivity of aniline can be tuned between homo-coupling and cross-coupling with arylboronic acid, demonstrating the promising applications of hydrazones in organic synthesis.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Lei Guo, Zhuping Li, Xiubang Wu, Kai Wang, Faheem Abbas, Yundong Wu, Fan Zhang
Summary: In this work, a simple photocuring method was used to create a series of zwitterionic coatings containing polyhedral oligomeric silsesquioxane (POSS) without the need to prepare copolymer. The coating thickness was typically about 6 μm, and the surface POSS content showed a tendency of increasing with POSS. The zwitterionic coating with high POSS content exhibited better water absorbing capability and transmittance, leading to excellent antifogging properties.
Article
Chemistry, Physical
Lizhou Fan, Yuxiang Song, Fan Zhang, Brian J. J. Timmer, Alexander Kravberg, Biaobiao Zhang, Licheng Sun
Summary: Water oxidation is a key reaction in natural and artificial photosynthesis. Designing efficient water-oxidation catalysts for solar fuel production is a long-term challenge. Mimicking the structures of the oxygen-evolving complex (OEC) is a direct strategy, but the high efficiency of the OEC relies on its holistic system for well-organized electron transfer and proton transport.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Jianhong Tan, Lei Guo, Hong Yang, Fan Zhang, Youness El Bakri
