p-CuO/n-ZnO Heterojunction Structure for the Selective Detection of Hydrogen Sulphide and Sulphur Dioxide Gases: A Theoretical Approach

被引：10
|
作者：
Albargi, Hasan [1 ,2 ]
Ammar, Hussein Y. [2 ,3 ]
Badran, Heba M. [2 ,3 ]
Algadi, Hassan [1 ,4 ]
Umar, Ahmad [1 ,5 ]
机构：
[1] Najran Univ, Promising Ctr Sensors & Elect Devices PCSED, Najran 11001, Saudi Arabia
[2] Najran Univ, Fac Sci & Arts, Dept Phys, Najran 11001, Saudi Arabia
[3] Ain Shams Univ, Fac Educ, Phys Dept, Cairo 11566, Egypt
[4] Najran Univ, Dept Elect Engn, Najran 11001, Saudi Arabia
[5] Najran Univ, Fac Sci & Arts, Dept Chem, Najran 11001, Saudi Arabia
来源：
COATINGS | 2021年 / 11卷 / 10期
关键词：
CuO/ZnO heterostructure; gas sensors; H2S gas; SO2; gas; DFT; SENSOR DEVICE; ELECTROCHEMICAL SENSOR; DETECTION PERFORMANCE; ADSORPTION; SURFACE; TEMPERATURE; CHEMISTRY; CATALYST; LASERS; DFT;
D O I：
10.3390/coatings11101200
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
DFT calculations at the B3LYP/LanL2DZ level of theory were utilized to investigate the adsorption of H2S and SO2 gases on the electronic properties of CuO-ZnO heterojunction structures. The results were demonstrated from the standpoint of adsorption energies (E-ads), the density of states (DOS), and NBO atomic charges. The obtained values of the adsorption energies indicated the chemisorption of the investigated gases on CuO-ZnO heterojunction. The adsorption of H2S and SO2 gases reduced the HOMO-LUMO gap in the Cu2Zn10O12 cluster by 4.98% and 43.02%, respectively. This reveals that the Cu2Zn10O12 cluster is more sensitive to the H2S gas than the SO2 gas. The E-ads values for SO2 and H2S were -2.64 and -1.58 eV, respectively. Therefore, the Cu2Zn10O12 cluster exhibits a higher and faster response-recovery time to H2S than SO2. Accordingly, our results revealed that CuO-ZnO heterojunction structures are promising candidates for H2S- and SO2-sensing applications.
引用
收藏
页数：13
相关论文
共 50 条
  • [21] Fabrication and improved photocatalytic activity of n-ZnO nanorod arrays/p-CuO thin film heterojunction
    Li, Duo
    Gao, Shiyong
    Wang, Jinzhong
    Li, Lin
    Yu, Qingjiang
    Jiao, Shujie
    Zhang, Yong
    Wang, Dongbo
    Guo, Fengyun
    Zhao, Liancheng
    JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2016, 27 (08) : 8753 - 8757
  • [22] Fabrication and improved photocatalytic activity of n-ZnO nanorod arrays/p-CuO thin film heterojunction
    Duo Li
    Shiyong Gao
    Jinzhong Wang
    Lin Li
    Qingjiang Yu
    Shujie Jiao
    Yong Zhang
    Dongbo Wang
    Fengyun Guo
    Liancheng Zhao
    Journal of Materials Science: Materials in Electronics, 2016, 27 : 8753 - 8757
  • [23] Design of p-CuO/n-ZnO heterojunctions by rf magnetron sputtering
    Saji, Kachirayil J.
    Populoh, Sascha
    Tiwari, Ayodhya N.
    Romanyuk, Yaroslav E.
    PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 2013, 210 (07): : 1386 - 1391
  • [24] Fabrication of p-CuO/n-ZnO heterojunction diode via sol-gel spin coating technique
    Prabhu, Rajeev R.
    Saritha, A. C.
    Shijeesh, M. R.
    Jayaraj, M. K.
    MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS, 2017, 220 : 82 - 90
  • [25] Thin film chemical sensors based on p-CuO/n-ZnO heterocontacts
    Dandeneau, Christopher S.
    Jeon, Yu-Hong
    Shelton, Christopher T.
    Plant, Tom K.
    Cann, David P.
    Gibbons, Brady J.
    THIN SOLID FILMS, 2009, 517 (15) : 4448 - 4454
  • [26] The synthesis and characterization of p-CuO/n-ZnO nanoparticles synthesized by chemical method
    Chatkaewsueb, Supatada
    Saysunee, Nisachon
    Tamaekong, Nittaya
    MATERIALS TODAY-PROCEEDINGS, 2017, 4 (05) : 6111 - 6117
  • [27] Synthesis and characterization of p-CuO/n-ZnO heterostructured composite thin films for the detection of formaldehyde gas
    Yadav, Sarika
    Nagaraju, P.
    Begum, Sameena
    Swathi, M.
    Krishna, Kurugundla Gopi
    Ojha, J. K.
    Turpu, G. R.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2025, 37 (05)
  • [28] Ultraviolet photodetectors using hollow p-CuO nanospheres/n-ZnO nanorods with a pn junction structure
    Ji, Yuexing
    Jung, Uijin
    Xian, Zhanpeng
    Kim, Dohyun
    Yu, Jiyeon
    Park, Jinsub
    SENSORS AND ACTUATORS A-PHYSICAL, 2020, 304
  • [29] Fabrication of novel p-CuO/n-ZnO heterojunction nanofibers by electrospinning for enhanced photocatalytic performance in the denitrification of fuel oil
    Meng, Qingming
    Liu, Wenna
    Jiang, Juan
    Zhang, Xinle
    CERAMICS INTERNATIONAL, 2021, 47 (14) : 19402 - 19413
  • [30] Preparation and application of Au nanoparticles modified p-CuO/n-ZnO heterojunction arrays for promoting photoelectrochemical water splitting
    Tao, Heng
    Cai, Junhao
    Zhang, Kun
    Li, Ruoping
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2023, 151
12345