Experimental and Computational Study of Zr and CNC-Doped MnO2 Nanorods for Photocatalytic and Antibacterial Activity

被引：0

作者：

Ikram, Muhammad ^{[9
]}

Asghar, Rabiya ^{[1
]}

Imran, Muhammad ^{[2
]}

Naz, Misbah ^{[3
]}

Haider, Ali ^{[4
]}

Ul-Hamid, Anwar ^{[10
]}

Haider, Junaid ^{[5
]}

Shahzadi, Anum ^{[6
]}

Nabgan, Walid ^{[11
,12
]}

Goumri-Said, Souraya ^{[7
]}

Kanoun, Mohammed Benali ^{[8
]}

Butt, Alvina Rafiq ^{[1
]}

机构：

[1] Lahore Garrison Univ, Phys Dept, Lahore 54000, Punjab, Pakistan

[2] Beijing Univ Chem Technol, Beijing Adv Innovat Ctr Soft Matter Sci & Engn, Beijing Engn Ctr Hierarch Catalysts, State Key Lab Chem Resource Engn, Beijing 100029, Peoples R China

[3] Univ Educ, Dept Chem, Div Sci & Technol, Lahore 54000, Pakistan

[4] Muhammad Nawaz Shareef Univ Agr, Fac Vet & Anim Sci, Multan 66000, Punjab, Pakistan

[5] Chinese Acad Sci, Tianjin Inst Ind Biotechnol, Tianjin 300308, Peoples R China

[6] Univ Lahore, Fac Pharm, Lahore 54000, Pakistan

[7] Alfaisal Univ, Coll Sci, Phys Dept, Riyadh 11533, Saudi Arabia

[8] King Faisal Univ, Coll Sci, Dept Phys, Al Hasa 31982, Saudi Arabia

[9] Govt Coll Univ Lahore, Dept Phys, Solar Cell Applicat Res Lab, Lahore 54000, Punjab, Pakistan

[10] King Fahd Univ Petr & Minerals, Core Res Facil, Dhahran 31261, Saudi Arabia

[11] Univ Teknol Malaysia, Fac Engn, Sch Chem & Energy Engn, Skudai 81310, Johor, Malaysia

[12] Univ Rovira & Virgili, Dept Engn Quim, Tarragona 43007, Spain

来源：

ACS OMEGA | 2022年 / 7卷 / 16期

关键词：

DYE DEGRADATION; CATALYTIC-PROPERTIES; OXIDE; NANOPARTICLES; MECHANISMS; REMOVAL; PHASE;

D O I：

10.1021/acsomega.2c0058314045

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Cellulose nanocrystals (CNC), MnO2, CNC-doped MnO2, and Zr/CNC-doped MnO2 were prepared with a hydrothermal method to assess their photocatalytic and antibacterial properties. Various characterizations were undertaken to determine the phase composition, the existence of functional units, optical characteristics, elemental analysis, surface topography, and microstructure of the prepared materials. Sample crystallinity was improved, whereas a decrease in crystallite size was observed with increasing amounts of dopants. Incorporation of dopants (CNC and Zr) into MnO2 instigated a transformation in morphology from nanoclusters to nanorods with different diameters. Furthermore, photocatalytic activity experiments indicated a more effective degradation of methylene blue (MB) dye with CNC-doped MnO2 and Zr/CNC-codoped MnO2 while enhancing the bacterial efficacy for both G +ve and G -ve. Density functional theory was utilized to model the structures and elucidate their bonding and charge transfer mechanisms. The Zr/CNC-MnO2 system showed charge depletion around Mn atoms, while charges were observed to accumulate around oxygen atoms.

引用

页码：14045 / 14056

页数：12

共 59 条

[1] Hydrothermally grown α-MnO2 nanorods as highly efficient low cost counter-electrode material for dye-sensitized solar cells and electrochemical sensing applications [J].