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第一性原理研究In,Cr,Sb掺杂BiOIO_(3)的电子结构和光学性质
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作者 苟杰 王云杰 +1 位作者 白雪 苏欣 《电子元件与材料》 CAS 北大核心 2024年第3期291-298,共8页
基于第一性原理研究In,Cr,Sb掺杂BiOIO_(3)的电子结构和光学性质的理论机制。BiOIO_(3)与In,Cr,Sb掺杂BiOIO_(3)四种结构体系的带隙值分别为1.910,1.837,1.777和1.603eV,与BiOIO_(3)本征带隙相比较,掺杂In,Cr,Sb元素后跃迁方式都由间接... 基于第一性原理研究In,Cr,Sb掺杂BiOIO_(3)的电子结构和光学性质的理论机制。BiOIO_(3)与In,Cr,Sb掺杂BiOIO_(3)四种结构体系的带隙值分别为1.910,1.837,1.777和1.603eV,与BiOIO_(3)本征带隙相比较,掺杂In,Cr,Sb元素后跃迁方式都由间接带隙变为直接带隙,这一变化表明掺杂后减少了跃迁需要的能量。且Cr掺杂体系表现出n型半导体特性,表明引入Cr加快了电子的迁移速率,使Cr掺杂BiOIO_(3)具有更高的导电性能。在对光学性质的研究中,发现掺杂元素Cr后BiOIO_(3)对紫外光、红外光区域的吸收能力都大幅度提升,并提高了可见光光催化活性。掺杂In,Cr,Sb后BiOIO_(3)晶体在1064nm处的双折射率分别为0.227,0.141和0.247,In和Sb掺杂增大了双折射率,而掺杂Cr元素降低了双折射率。 展开更多
关键词 bioio_(3) 电子结构 光学性质 第一性原理
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具有主导晶面的BiOIO_(3)/BiOCl异质结制备与光催化性能 被引量:2
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作者 黄宗益 郑遗凡 +1 位作者 杨娥 宋旭春 《无机化学学报》 SCIE CAS CSCD 北大核心 2023年第2期263-271,共9页
分别以乙二醇/去离子水为溶剂,通过溶剂热/水热法分别制备了具有不同主导晶面的BiOIO_(3)/{110}BiOCl和BiOIO_(3)/{001}BiOCl异质结。采用X射线衍射、扫描电子显微镜、能量色散谱和紫外可见漫反射光谱对制备的BiOIO_(3)/BiOCl光催化剂... 分别以乙二醇/去离子水为溶剂,通过溶剂热/水热法分别制备了具有不同主导晶面的BiOIO_(3)/{110}BiOCl和BiOIO_(3)/{001}BiOCl异质结。采用X射线衍射、扫描电子显微镜、能量色散谱和紫外可见漫反射光谱对制备的BiOIO_(3)/BiOCl光催化剂进行了表征。在可见光照射下,通过对罗丹明B和苯酚水溶液的光催化降解,考察了BiOIO_(3)/BiOCl异质结的光催化活性。结果显示25%BiOIO_(3)/{110}BiOCl异质结具有最高的光催化效率。BiOIO_(3)/{110}BiOCl较好的光催化性能是由于其在可见光区较强的光吸收,以及异质结结构和BiOCl所具有的(110)主导晶面有利于光生载流子的分离。超氧自由基(·O2-)和空穴(h^(+))是光催化过程中的主要活性物质。此外,根据实验结果探讨了光催化性能增强的机理。 展开更多
关键词 光催化 主导晶面 bioio_(3) BiOCl 异质结
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碱性条件影响下的Bi_(2)O_(2)(BO_(2)OH)/BiOIO_(3)异质结 被引量:1
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作者 杨洁 姚冲冲 雷鸣 《软件》 2017年第1期16-19,共4页
本文采用不同p H值下一步法合成Bi_2O_2(BO_2OH)/BiOIO_3复合材料,通过XRD、SEM、TEM、UV-vis等测试手段分析复合材料的结晶情况和形貌特征。通过紫外条件下降解模拟污染物罗丹明染料来测试复合材料的光催化活性。结果表明:Bi_2O_2(BO_2... 本文采用不同p H值下一步法合成Bi_2O_2(BO_2OH)/BiOIO_3复合材料,通过XRD、SEM、TEM、UV-vis等测试手段分析复合材料的结晶情况和形貌特征。通过紫外条件下降解模拟污染物罗丹明染料来测试复合材料的光催化活性。结果表明:Bi_2O_2(BO_2OH)/BiOIO_3复合材料能够成功合成,在制备条件为p H=7的情况下具有最高的光催化降解速率。复合材料优异的光催化性能是由于复合材料的不同组分有相互重叠的能带结构,从而抑制了载流子的复合。 展开更多
关键词 微电子学与固体电子学 光催化 罗丹明B Bi_(2)O_(2)(BO_(2)OH)/bioio_(3)异质结.
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牙科修复用BiOIO_(3)/g-C_(3)N_(4)复合纳米光催化剂的制备与表征
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作者 许卫星 秦志伟 张霞 《口腔材料器械杂志》 2021年第3期144-148,共5页
目的研究不同剂量NaOH条件对制备BiOIO_(3)/g-C_(3)N_(4)复合纳米光催化剂的结构形貌及其可吸收光谱的影响,为研制适用于口腔修复纳米光催化功能性材料提供依据。方法水热法制备BiOIO_(3)/g-C_(3)N_(4),通过XRD(X射线衍射仪)、SEM(扫描... 目的研究不同剂量NaOH条件对制备BiOIO_(3)/g-C_(3)N_(4)复合纳米光催化剂的结构形貌及其可吸收光谱的影响,为研制适用于口腔修复纳米光催化功能性材料提供依据。方法水热法制备BiOIO_(3)/g-C_(3)N_(4),通过XRD(X射线衍射仪)、SEM(扫描电镜图)和UV-vis(紫外-可见光吸收光谱)对其形貌、结构、分子组成和理化特性等进行表征。结果在5mol/L的NaOH溶液条件下制备出BiOIO_(3)/g-C_(3)N_(4)(BC-5),其(010)峰和(040)峰的强度最弱,(121)峰的强度最强,形貌呈方形块状,出现圆角形状,尺寸在100~200 nm范围,厚度约为60 nm。其富含异质结构,禁带宽度降低,吸收光谱红移,光吸收边界有明显拓宽。结论g-C_(3)N_(4)掺杂形成了Z型异质结构,提高了电子-空穴分离效率,提升了可见光响应性能。该结果为新型牙科修复功能性光催化材料的选择提供了一定的理论依据。 展开更多
关键词 光催化剂 bioio_(3)/g-C_(3)N_(4) 制备 表征
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BiOIO_(3)/ZnIn_(2)S_(4)复合催化剂的制备及其光还原六价铬的性能
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作者 范庆骏 冯雨晨 穆伟娜 《山东化工》 CAS 2024年第15期106-108,124,共4页
采用水热法制备BiOIO_(3)/硫铟化物复合催化剂,并将其用于水体中Cr(Ⅵ)的去除,研究结果显示:与其他复合材料相比,所制备的BiOIO_(3)/ZnIn_(2)S_(4)对Cr(Ⅵ)具有最佳的光催化活性。而后考察了反应时间、污染物初始浓度、催化剂用量等实... 采用水热法制备BiOIO_(3)/硫铟化物复合催化剂,并将其用于水体中Cr(Ⅵ)的去除,研究结果显示:与其他复合材料相比,所制备的BiOIO_(3)/ZnIn_(2)S_(4)对Cr(Ⅵ)具有最佳的光催化活性。而后考察了反应时间、污染物初始浓度、催化剂用量等实验条件对Cr(Ⅵ)去除率的影响。为光催化还原Cr(Ⅵ)的实际应用提供了理论依据。 展开更多
关键词 bioio_(3) 硫铟化物 复合光催化剂 六价铬
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Bifunctional S-scheme hybrid heterojunction comprising CdS nanorods and BiOIO_(3) nanosheets for efficient solar-induced antibiotic degradation and highly-selective CO_(2) reduction 被引量:1
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作者 Dong-Eun Lee Naresh Mameda +3 位作者 Kasala Prabhakar Reddy B.Moses Abraham Wan-Kuen Jo Surendar Tonda 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2023年第30期74-87,共14页
The development of a bifunctional photocatalyst that can be utilized for both energy conversion and envi-ronmental remediation is of great practical significance.In addition,an S-scheme charge transfer process can ass... The development of a bifunctional photocatalyst that can be utilized for both energy conversion and envi-ronmental remediation is of great practical significance.In addition,an S-scheme charge transfer process can assist a photocatalyst in efficiently separating photoexcited electrons and holes while maintaining the strong reducibility and oxidizability of the former and the latter,respectively.We developed a bifunctional S-scheme hybrid photocatalyst comprising CdS nanorods and BiOIO_(3)(BIO) nanosheets for efficient antibi-otic degradation and cocatalyst-and sacrificial reagent-free CO_(2) reduction.The combination of visible-light-responsive one-dimensional(1D)CdS and UV-light-responsive 2D BIO resulted in a CdS/BIO hybrid photocatalyst with effective 1D/2D(line)interfacial contact and a broadened optical absorption range.Notably,the CdS/BIO hybrid exhibited exceptional diclofenac degradation and mineralization as well as outstanding CO_(2) reduction activity for CO production,with 95.4%CO selectivity over H_(2)production.The exceptional performance of the hybrid catalyst is primarily attributed to the accelerated photoexcited charge transfer caused by the 1D/2D line interfacial contact and the high charge separation and strong redox power of the separated charges,both of which stem from the effective S-scheme charge transfer process.In addition,photocorrosion of CdS was substantially mitigated,resulting in the high photocat-alytic performance of the hybrid catalyst even after repeated test runs.This study provides insight into the rational design of bifunctional S-scheme hybrid photocatalysts for CO_(2) reduction and pollutant degra-dation. 展开更多
关键词 CdS bioio_(3) Bifunctional photocatalyst S-scheme mechanism Antibiotic degradation CO_(2)reduction
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2D/2D BiOIO_(3)/g-C_(3)N_(4) S-scheme hybrid heterojunction with face-to-face interfacial contact for effective photocatalytic H_(2) production and norfloxacin degradation 被引量:1
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作者 Dong-Eun Lee Satyanarayana Moru +2 位作者 KasalaPrabhakar Reddy Wan-Kuen Jo Surendar Tonda 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2023年第17期19-30,共12页
A two-dimensional(2D)/2D hybrid heterojunction with face-to-face interfacial assembly is a desirable dimensionality design with significant potential for various photocatalytic applications due to the large interfacia... A two-dimensional(2D)/2D hybrid heterojunction with face-to-face interfacial assembly is a desirable dimensionality design with significant potential for various photocatalytic applications due to the large interfacial contact area,which facilitates charge migration and separation.Herein,we developed an ef-ficient 2D/2D hybrid heterojunction consisting of BiOIO 3 nanoplates(BIO)and g-C_(3)N_(4) nanosheets(CN)using a simple but effective in situ growth method for photocatalytic aqueous antibiotic degradation and H_(2) generation.The face-to-face interfacial assembly of the BIO and CN components in the BIO/CN hy-brid heterojunction was verified using electron microscopy.Remarkably,the BIO/CN hybrid heterojunc-tion outperformed both the BIO and CN counterparts in terms of norfloxacin degradation and H_(2) gen-eration under simulated solar light irradiation.Moreover,the photocatalytic performance of the hybrid catalyst remained nearly unchanged throughout five consecutive test runs.The exceptional performance and stability of the hybrid catalyst are attributable to its extended optical absorption range,large interfa-cial contact area provided by the face-to-face assembly in the 2D/2D hybrid configuration,and enhanced photoexcited charge separation efficiency and redox power of the separated charges,which are supported by an efficient S-scheme charge transfer mechanism.This study illuminates the rational construction of novel 2D/2D S-scheme hybrid heterojunction photocatalysts with practical applications in environmental remediation and sustainable energy generation. 展开更多
关键词 g-C_(3)N_(4) bioio_(3) Face-to-face interface 2D/2D heterojunction S-scheme charge transfer Solar energy conversion
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