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A surface engineering strategy for the stabilization of zinc metal anodes with montmorillonite layers toward long-life rechargeable aqueous zinc ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 94-105页

作者： Wenbo Wang Ruifeng Xu Xu Zhang Peiyu Wang Bao Yang Bingjun Yang Juan Yang Kailimai Su Pengjun Ma Yanan Deng Xianfeng Fan Wanjun Chen Key Laboratory for Electronic Materials College of Electrical Engineering Northwest Minzu University Resource Chemistry and Energy Materials Research Center State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences Institute for Materials and Processes School of Engineering University of Edinburgh

Rechargeable aqueous zinc-ion batteries （AZIBs） exhibit appreciable potential in the domain of electrochemical energy ***,there are serious challenges for AZIBs,for instance zinc dendrite growth,hydrogen evolution reaction （HER）,and corrosion side ***,we propose a surface engineering modification strategy for coating the montmorillonite （MMT） layer onto the surface of the Zn anode to tackle these issues,thereby achieving high cycling stability for rechargeable *** results reveal that the MMT layer on the surface of the Zn anode is able to provide ordered zincophilic channels for zinc ions migration,facilitating the reaction kinetics of zinc *** functional theory（DFT） calculations and water contact angle （CA） tests prove that MMT@Zn anode exhibits superior adsorption capacity for Zn2+and better hydrophobicity than the bare Zn anode,thereby achieving excellent cycling ***,the MMT@Zn||MMT@Zn symmetric cell holds the stable cycling over 5600 h at 0.5 mA cm-2and 0.125 m A h cm-2,even exceeding 1800 h long cycling under harsh conditions of 5 m A cm-2and 1.25 m A h *** MMT@Zn||V2O5full cell reaches over 3000 cycles at 2 A g-1with excellent rate ***,this surface engineering modification strategy for enhancing the electrochemical performance of AZIBs represents a promising application.

关键词： Surface engineering strategy Montmorillonite layer Protection mechanism of Zn anode Cycling stability Aqueous zinc ion batteries

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Theoretical Study on the Electronic Structures and Spectral Properties of 1,8-Naphthalimide Derivatives

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Chinese Journal of Structural Chemistry 2014年第6期33卷 813-820页

作者：王艳高慧杨平聂光华宋新建 Key Laboratory of Biologic Resources Protection and Utilization of hubei Province Hubei Minzu University College of Forestry and Horticultrue Hubei Minzu University

The molecular geometries, frontier molecular orbital properties, and absorption and emission properties of three 4-phenoxy-1,8-naphthalimide derivatives, namely 4-phenoxy-N-（2-hydroxyethyl）-1,8-naphthalimide（1）,4-（2-tert-butylphenoxy）-N-（2-hydroxyethyl）-1,8-naphthalimide（2）, and 4-[2,4-di（tert-butyl）]phenoxy-N-（2-hydroxyethyl）-1,8-naphthalimide（3）, are investigated by density functional theory（DFT） and time-dependent density functional theory（TD-DFT） calculations in conjunction with polarizable continuum models（PCMs）. Four functionals and ten basis sets are employed for 1 to calculate the electron transition energies, which were compared with the experimental observations. Our results reveal that the B3LYP/6-311＋G（d,p） method is the best choice to reproduce the experimental spectra. Moreover, the effects of substituents on the molecular geometries, electronic structures, absorption and emission spectra are also studied at the B3LYP/6-311＋G（d,p） level. We find that the gap between the highest occupied molecular orbital（HOMO） and the lowest unoccupied molecular orbital（LUMO） decreases with increasing the number of tert-butyl substituents onto the phenoxy groups, suggesting red-shift of the absorption and emission bands. This is related to the increase of conjugation from 1 to 2 and 3. Our calculations are in good agreement with the experimental results.

关键词： 1 8-naphthalimide derivatives density functional theory frontier molecular orbital absorption spectrum emission spectrum

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Synthesis, Crystal Structure, and Antitumor Activity of 1-(4-Methoxybenzylidene)-2-(1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)hydrazine Monohydrate

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Chinese Journal of Structural Chemistry 2014年第8期33卷 1129-1134页

作者：杨平高慧宋新建 Key Laboratory of Biologic Resources Protection and Utilization of hubei Province Hubei Minzu University College of Forestry and Horticultrue Hubei Minzu University

The novel title compound 1-（4-methoxybenzylidene）-2-（1-phenyl-6-trifluoromethyl- 1H-pyrazolo[3,4-d]pyrimidin-4-yl）hydrazine monohydrate （C20HisF3N60-H20, Mr = 430.40） has been synthesized by a four-step procedure including the cyclization, chlorination, hydrazinolysis and condensation reaction, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to orthorhombic, space groupPbca with a = 8.3779（13）, b = 17.607（3）, c = 26.774（4） A, V= 3949.2（11） A3, Z=8, Dc = 1.448 g/cm3, μ = 0.117 mm-l, F（000） = 1776, the final R = 0.0553 and wR = 0.1516 for 2354 observed reflections with 1 〉 2σ（/）. X-ray diffraction analysis reveals that the title compound is almost coplanar except for the trifluoromethyl and phenyl moieties. In the crystal packing, the molecules are linked by intermolecular O（lW）-H（1WA）-＂N（2）, O（1W）-H（1WA）.--N（4） and N（5）-H（5A）...O（lW） hydrogen bonds via water molecules and stacked through π-π stacking interactions. The preliminary bioassay suggested that the title compound exhibits relatively good antitumor activity against HepG2 and BCG-823.

关键词： pyrazolo[3,4-d]pyrimidine hydrazone trifluoromethyl antitumor activity

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Dative B–N bonds weaven toward two-dimensional purely organic materials for single crystals

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Science China Chemistry 2025年第01期 12-14页

作者： Wei-Lei Zhou Siwei Wang Yong Chen College of Chemistry and Materials Science Inner Mongolia Key Laboratory of Chemistry for Nature Products and Synthesis for Functional Molecules Innovation Team of Optical Functional Molecular Devices Inner Mongolia Minzu University College of Chemistry Nankai University

Molecular topology is one of the important topics to study and understand the relationship between molecular structure and properties [1]. Particularly, two-dimensional (2D) materials with extremely high surface area and ultra-thin morphology have attracted considerable attention due to their unexpected properties in materials and chemistry [2,3].

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Electronic and optical properties of GaN–MoS2 heterostructure from first-principles calculations

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Chinese Physics B 2019年第8期28卷 254-257页

作者： Dahua Ren Xingyi Tan Teng Zhang Yuan Zhang School of Information Engineering Hubei Minzu University

Heterostructures(HSs)have attracted significant attention because of their interlayer van der Waals *** electronic structures and optical properties of stacked GaN-MoS2 HSs under strain have been explored in this work using density functional *** results indicate that the direct band gap(1.95 e V)of the Ga N-MoS2 HS is lower than the individual band gaps of both the GaN layer(3.48 e V)and the MoS2 layer(2.03 eV)based on HSE06 hybrid functional ***,the GaN-MoS2 HS is a typical type-II band HS semiconductor that provides an effective approach to enhance the charge separation efficiency for improved photocatalytic degradation activity and water splitting *** tensile or compressive strain,the direct band gap of the GaN-MoS2 HS undergoes ***,the GaN-MoS2 HS maintains its direct band gap semiconductor behavior even when the tensile or compressive strain reaches 5%or-5%.Therefore,the results reported above can be used to expand the application of Ga N-MoS2 HSs to photovoltaic cells and photocatalysts.

关键词： GaN-MoS2 heterostructure electronic structures optical properties first-principles calculations

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Facile synthesis and antitumor activity of novel 2-trifluoromethylthieno[2,3-d]pyrimidine derivatives

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Chinese Chemical Letters 2014年第7期25卷 1006-1010页

作者： Xin-Jian Song Ping Yang Hui Gao Yan Wang Xing-Gao Dong Xiao-Hong Tan Key Laboratory of Biologic Resources Protection and Utilization of hubei Province Hubei Minzu University College of Forestry and Horticulture Hubei Minzu University

A series of novel 2-trifluoromethylthieno[2,3-d]pyrimidine derivatives were synthesized by a facile three-step procedure that afforded advantages of mild reaction conditions, simple protocol and good yields. The structures of the final compounds were confirmed by 1R, NMR, El-MS, elemental analysis, and X-ray diffraction. Preliminary bioassay results showed that some of the analogs exhibit excellent antitumor activity against MCF-7 and HepG2, especially compounds 3a, 3b, 3e and 3h exhibited higher activity than the positive control gefitinib.

关键词： Thieno[2,3-d]pyrimidine Gewald reaction Trifluoromethyl Facile synthesis Anritumor activity

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Data-driven Surrogate-assisted Method for High-dimensional Multi-area Combined Economic/Emission Dispatch

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Journal of Modern Power Systems and Clean Energy 2024年第1期12卷 52-64页

作者： Chenhao Lin Huijun Liang Aokang Pang Jianwei Zhong Yongchao Yang the College of Intelligent Systems Science and Engineering Hubei Minzu UniversityEnshiChina

Multi-area combined economic/emission dispatch(MACEED)problems are generally studied using analytical ***,as the scale of power systems increases,ex isting solutions become time-consuming and may not meet oper ational *** overcome excessive computational ex pense in high-dimensional MACEED problems,a novel data-driven surrogate-assisted method is ***,a cosine-similarity-based deep belief network combined with a back-propagation(DBN+BP)neural network is utilized to replace cost and emission ***,transfer learning is applied with a pretraining and fine-tuning method to improve DBN+BP regression surrogate models,thus realizing fast con struction of surrogate models between different regional power ***,a multi-objective antlion optimizer with a novel general single-dimension retention bi-objective optimization poli cy is proposed to execute MACEED optimization to obtain scheduling *** proposed method not only ensures the convergence,uniformity,and extensibility of the Pareto front,but also greatly reduces the computational ***,a 4-ar ea 40-unit test system with different constraints is employed to demonstrate the effectiveness of the proposed method.

关键词： Multi-area combined economic/emission dispatch high-dimensional power system deep belief network data driven transfer learning

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The Electronic and Optical Properties of Vertically Stacked GaN-WS_(2) Heterostructure

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Journal of Wuhan university of Technology(Materials Science) 2022年第1期37卷 28-31页

作者： REN Dahua QIAN Kai LI Qiang ZHANG Yuan ZHANG Teng School of Information Engineering Hubei Minzu UniversityEnshi 44500China School of Advanced Materials and Mechatronic Engineering Hubei Minzu UniversityEnshi 44500China

The electronic structure and optical property of stacked GaN-WS_(2)heterostructure are explored with HSE06 calculation based on density functional *** direct band gap of GaN-WS_(2)heterostructure is 1.993 eV,which is obviously a type-II band alignment ***,the optical property of GaN-WS_(2)heterostructure such as absorption coefficient is *** new findings enable GaN-WS_(2)heterostructure to be promising candidates for photovoltaic cells and electronic devices in visible light.

关键词： GaN-WS_(2)heterostructure band structure optical property calculation

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Existence of Positive Solutions to a Fractional-Kirchhoff System

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Acta Mathematicae Applicatae Sinica 2024年第1期40卷 225-240页

作者： Peng-fei Li Jun-hui Xie Dan Mu School of Mathematics and Statistics Hubei Minzu UniversityEnshi445000China

LetΩbe a bounded smooth domain in RN(N≥3).Assuming that 00 are constants,we consider the existence results for positive solutions of a class of fractional elliptic system below,{(a+b[u]^(2)_(s))(-Δ)^(s)u=vp+h_(1)(x,u,v,▽u,▽v),x∈Ω,(-Δ)^(s)v=u^(q)+h_(2)(x,u,▽,▽u,▽v),x∈Q,u,v>0,x∈Ω,u=v=0,x∈RN\Ω.Under some assumptions of hi(x,u,v,▽u,▽v)(i=1,2),we get a priori bounds of the positive solutions to the problem(1.1)by the blow-up methods and rescaling *** on these estimates and degree theory,we establish the existence of positive solutions to problem(1.1).

关键词： fractional-Kirchhoff system a priori bounds degree theory positive solution

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Aperiodically semi-intermittent-based fixed-time stabilization and synchronization of delayed discontinuous inertial neural networks

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Science China(Information Sciences) 2025年第1期 238-254页

作者： Guodong ZHANG Jinde CAO School of Mathematics and Statistics South-Central Minzu University School of Mathematics Southeast University

This article concentrates on the fixed-time stabilization(FS) and fixed-time synchronization(FTS) of discontinuous inertial neural networks(DINNs) with distributed delays. Using mathematical induction to a new differential equality, a novel fixed-time stability lemma is constructed. Then, by designing an aperiodically semi-intermittent switching control and combining it with the theory of nonsmooth analysis, some novel criteria on the FS and FTS of DINNs are obtained. Unlike the methods used in most existing studies, the FS and FTS results are structured using the newly proposed fixed-time stability lemma and the nonreduced-order approach, resulting in broader practical applications and strengthening the scientific quality of the derived results. Lastly, numerical simulations and applications proffer the effectiveness of the established FS and FTS criteria.

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