Article
Chemistry, Multidisciplinary
Kelvin Wang, Xuan Luo
Summary: Two-dimensional materials, specifically doped SiP2 monolayers, have shown great potential for the adsorption and removal of CO2, which is crucial for mitigating climate change.
Article
Materials Science, Multidisciplinary
Laya Dejam, Slawomir Kulesza, Jamshid Sabbaghzadeh, Atefeh Ghaderi, Shahram Solaymani, Stefan Talu, Miroslaw Bramowicz, Mitra Amouamouha, Amir Hossein Salehi Shayegan, Amir Hossein Sari
Summary: In this study, thin films of undoped ZnO, ZnO doped with Al, ZnO doped with Cu, and co-doped ZnO with Al and Cu were deposited on quartz substrates using RF sputtering. The samples were investigated for their advanced fractal features, crystalline structure, and optical properties. The results showed that the films had different morphologies and transmission spectra, with the co-doped sample exhibiting the highest transparency in the visible region and a desirable band gap.
RESULTS IN PHYSICS
(2023)
Article
Engineering, Environmental
Chenchen Zhang, Letian Wang, Yuzhen Chen, Xuezhong He, Yibing Song, Oz M. Gazit, Ziyi Zhong
Summary: By introducing oxygen vacancies, the metal-support interaction in Cu-supported catalysts is enhanced, leading to improved catalytic performance and high methanol production in CO2 hydrogenation. The special effects of defective supports play a crucial role in CO2 activation and conversion, as well as catalyst design and synthesis.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Ivana Panzic, Ivana Capan, Tomislav Brodar, Arijeta Bafti, Vilko Mandic
Summary: Pure and Al-doped ZnO nanorods were prepared using a two-step method, showing a minute change in morphology upon doping. Al doping significantly increased the conductivity of ZnO nanorods, with different electric conduction mechanisms observed at higher voltages. Consideration of the geometry change of Al-doped ZnO nanorods is important for their overall electric transport properties in future applications.
Article
Materials Science, Multidisciplinary
Suqin Xue, Lei Zhang, Gaihui Liu, Qiao Wu, Jing Ning, Bohang Zhang, Shenbo Yang, Fuchun Zhang, Weibin Zhang
Summary: The electronic structure and magnetic properties of Co/Mn co-doped ZnO nanowires are studied using first-principle calculations based on density functional theory (DFT) and the LDA+U algorithm. The optimal replacement position for Co/Mn atoms, the coupling mechanism, and the magnetic origin are investigated. The simulation results show that all configurations of Co/Mn co-doped ZnO nanowires exhibit ferromagnetism, and substituting Co/Mn atoms for Zn in the (0001) inner layer brings the nanowires to the ground state. Spin splitting and strong hybridization effects are observed near the Fermi level, and a Co2+-O2--Mn2+ magnetic path is established. The magnetic moment is mainly derived from the Co/Mn 3d orbital electrons and is influenced by the electronic configurations of Co/Mn atoms. Therefore, the realistic description of the electronic structure obtained through the LDA+U method suggests the potential of Co/Mn co-doped ZnO nanowires as diluted magnetic semiconductor materials.
Article
Materials Science, Multidisciplinary
Worasak Sukkabot
Summary: The electronic structures and optical properties of CuInTe2 semiconductors doped with III impurities were comprehensively investigated using density functional theory. It was found that dopants affect the structural parameters, reduce band gaps, and introduce optical anisotropies. Substitution of In with B, Al, and Ga extends the absorption range, providing theoretical support for solar cell applications.
PHILOSOPHICAL MAGAZINE
(2021)
Article
Chemistry, Physical
K. Chandramouli, B. Suryanarayana, T. Anil Babu, Vemuri Raghavendra, D. Parajuli, N. Murali, Venkaiah Malapati, Tulu Wegayehu Mammo, P. S. Shanmukhi, Umesh Reddy Gudla
Summary: The structure, particle size, and antibiotic nature of synthesized ZnO nanoparticles were studied using XRD, TEM, and FTIR, revealing spherical particles with a single wurtzite hexagonal crystal structure. The correlation between defect and antibiotic properties of ZnO was identified.
SURFACES AND INTERFACES
(2021)
Article
Engineering, Electrical & Electronic
Ahmed A. Aboud, Ayan Mukherjee, M. Al-Dossari, N. S. Abd EL-Gawaad, Ahmed M. Saad
Summary: We report the formation of hexagonal nano-sheets of pure and Co-doped ZnO thin films using aerosol-assisted chemical vapor deposition technique. Two phases of ZnO, Wurtzite and Zinc blende, were observed in the films by X-Ray diffraction. Scanning electron microscope images show the formation of hexagonal nano-sheets on the substrate surface. Beer's law was used to determine the band gap of the films. The performance of both films as UV detectors was investigated, with the response/decay time showing large values. Co-doping decreased the response time while increasing the decay time. The Co-doped ZnO films exhibited a minimum response time of 4s at 5V applied voltage, but had a lower gain value compared to the pure film.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Biochemistry & Molecular Biology
Michael A. Heuer, Leonard Reuter, Arne Luchow
Summary: Researchers are interested in enhancing the Lewis model of the chemical bond and connecting it to computable quantities. They have expanded the topological probability density analysis to molecules with multiple bonds and lone pairs, identifying structures that differ from the traditional Lewis model but show potentially better predictive capability.
Article
Chemistry, Multidisciplinary
Hao Ren, Ao Xu, Yiyang Pan, Donghuan Qin, Lintao Hou, Dan Wang
Summary: In this study, a Mg-doped ZnO thin film was prepared as the window layer for PbS solar cells, with ZnO nanocrystals deposited on top to improve performance. The addition of ZnO NCs greatly enhanced the power conversion efficiency of the solar cells by reducing carrier recombination at the interface. The use of MZO buffer layer along with ZnO NC interface passivation technique is expected to further enhance the performance of quantum dot solar cells.
Article
Energy & Fuels
Yong Shuai, Muhammad Rafique, Rasool Akhtar Alias Osama, Bachiruo Guene Lougou
Summary: The study investigated the effects of TiOx doping on the structural, opto-electronic, and spintronic properties of γ-graphyne. It was found that TiO2(3) doping can transform nonmagnetic graphynes into magnetic materials with spin polarized band structures. TiO-doped graphynes exhibit nonmagnetic narrow band indirect semiconductor behavior, and a blue shift in absorption and extinction coefficient.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Biochemistry & Molecular Biology
Sanxiu Li, Xuelan Sha, Xiafei Gao, Juan Peng
Summary: This paper synthesized Al-doped octahedral Cu2O (Al-Cu2O) nanocrystals by a simple wet chemical method. The selectivity of CO2RR products was improved by doping Al onto the surface of octahedral Cu2O. The Al-Cu2O was used as an efficient electrocatalyst for CO2RR with selective ethylene production.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Engineering, Electrical & Electronic
Yusuf Selim Ocak, Meryem Lamri Zeggar, Mustafa Fatih Genisel, Nilufer Uslu Uzun, Mohammed Salah Aida
Summary: Metal oxide nanostructures with high surface-to-volume ratios are ideal for gas sensor fabrication. By depositing ZnO thin films on vertically aligned silicon nanowires with varying etching times, sensitivity and specific reactive surface of CO2 sensors can be improved. The sensors show low response and recovery times compared to those reported in literature.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2021)
Article
Energy & Fuels
Mei Luo, Xiangmin Fu, Shuo Geng, Ziwei Li, Min Li
Summary: In this paper, bimetallic CuAg/CeO2-6 catalysts were designed for CO2RR, showing the highest FECO of 84% at -1.1 V vs. RHE. The electron delocalization effect between Cu and Ag bimetals as well as CeO2 support played a significant role in promoting CO2 adsorption and activation. The design of efficient CO2RR catalysts through electronic structure tuning by bimetallic strategy was proposed.
Article
Chemistry, Physical
Xixi Ren, Yugang Gao, Liren Zheng, Zeyan Wang, Peng Wang, Zhaoke Zheng, Yuanyuan Liu, Hefeng Cheng, Ying Dai, Baibiao Huang
Summary: Oxygen vacancy defect engineering, achieved through Ce3+ doping in ZnO, allows for controlled manipulation of defect concentration, impacting the performance of electrocatalytic CO2 reduction to CO. High concentrations of oxygen vacancies in Ce0.016Zn0.984O were found to enhance CO2 adsorption and activation capability, leading to optimized CO2 reduction to CO performance.
SURFACES AND INTERFACES
(2021)