Uddin M M, Hossain M Z, Kabir M H, Ghosh S, Haque M H, Hossain M M, Ali M A, Akhtaruzzaman Md, Alanazi Abdulaziz M, Mondal S, Chowdhury J, Karmakar D, Jana D
Department of Physics, Chittagong University of Engineering and Technology (CUET), Chattogram, 4349, Bangladesh.
Department of Materials Science & Engineering, Chittagong University of Engineering and Technology (CUET), Chattogram, 4349, Bangladesh.
Heliyon. 2024 Sep 10;10(18):e37689. doi: 10.1016/j.heliyon.2024.e37689. eCollection 2024 Sep 30.
The co-doping of vanadium pentoxide (VO) with rare-earth (RE) elements, namely 1.5 % holmium (Ho) and 1.5 % ytterbium (Yb) has been conducted using an eco-friendly, straightforward hydrothermal approach to assess the combined effects on structural, optical, and photocatalytic properties. The application of the density functional theory (DFT) approach effectively examined the impact of RE ions on the photocatalytic efficiency of co-doped VO. The stable orthorhombic crystal structure of co-doped VO has been confirmed using DFT and X-ray diffraction without a secondary phase. It appears that homogeneous nucleation occurs while heterogeneous nucleation slows down in co-doped samples, as evidenced by the larger crystallite sizes in co-doped samples compared to doped ones. It means a result, the co-doped samples exhibit photodegrades more quickly and have a higher rate constant than the doped samples. This is because they have less dislocation density (4.26 × 10 nm) and internal micro-strain (4.93 × 10). The bandgap and degradation efficiency are determined by the UV-vis spectroscopy and found to be 2.33 eV and 95 %, respectively, at the optimal pH of 7 in the visible range. The co-doped sample has a rate constant of 24 × 10 min, which is the highest in the RE-doped VO system. This is a good reason to think of co-doped VO as a possible catalyst.
采用一种环保、直接的水热法对五氧化二钒(VO)进行了稀土(RE)元素共掺杂,即1.5%的钬(Ho)和1.5%的镱(Yb),以评估其对结构、光学和光催化性能的综合影响。密度泛函理论(DFT)方法的应用有效地研究了稀土离子对共掺杂VO光催化效率的影响。利用DFT和X射线衍射证实了共掺杂VO的稳定正交晶体结构,且无第二相。与掺杂样品相比,共掺杂样品中晶粒尺寸更大,这表明共掺杂样品中发生了均匀成核,而异质成核减缓。结果表明,共掺杂样品的光降解速度更快,速率常数比掺杂样品更高。这是因为它们的位错密度(4.26×10 nm)和内部微应变(4.93×10)更小。通过紫外可见光谱法测定了带隙和降解效率,发现在可见光范围内,最佳pH值为7时,带隙为2.33 eV,降解效率为95%。共掺杂样品的速率常数为24×10 min,是稀土掺杂VO体系中最高的。这使得共掺杂VO成为一种可能的催化剂。