Hierarchically porous UiO-66 with tunable mesopores and oxygen vacancies for enhanced arsenic removal

2020 ◽  
Vol 8 (16) ◽  
pp. 7870-7879 ◽  
Author(s):  
Rongming Xu ◽  
Qinghua Ji ◽  
Pin Zhao ◽  
Meipeng Jian ◽  
Chao Xiang ◽  
...  
Keyword(s):  
Active Sites ◽  
Oxygen Vacancies ◽  
Arsenic Removal ◽  
Uptake Capacity ◽  
Arsenic Uptake ◽  
Hierarchically Porous

An ultrahigh arsenic uptake capacity was achieved using a hierarchically porous UiO-66 with tunable mesopores and active sites.

scholarly journals Study on the adsorption selection of CH$$_4$$ on CuO (110) versus (111) surfaces: a density functional theory study

2021 ◽  
Vol 3 (4) ◽  
Author(s):  
Long Lin ◽  
Linwei Yao ◽  
Shaofei Li ◽  
Zhengguang Shi ◽  
Kun Xie ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Adsorption Capacity ◽  
Active Sites ◽  
Density Functional ◽  
Oxygen Vacancies ◽  
Density Functional Theory Calculations ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Strong Adsorption ◽  
Selection Of

AbstractFinding the active sites of suitable metal oxides is a key prerequisite for detecting CH$$_4$$ 4 . The purpose of the paper is to investigate the adsorption of CH$$_4$$ 4 on intrinsic and oxygen-vacancies CuO (111) and (110) surfaces using density functional theory calculations. The results show that CH$$_4$$ 4 has a strong adsorption energy of −0.370 to 0.391 eV at all site on the CuO (110) surface. The adsorption capacity of CH$$_4$$ 4 on CuO (111) surface is weak, ranging from −0.156 to −0.325 eV. In the surface containing oxygen vacancies, the adsorption capacity of CuO surface to CH$$_4$$ 4 is significantly stronger than that of intrinsic CuO surface. The results indicate that CuO (110) has strong adsorption and charge transfer capacity for CH$$_4$$ 4 , which may provide experimental guidance.

Preparation of Calcium Sulfate Anhydrate Whisker and a Primary Investigation of its Arsenic Removal Performance

2013 ◽  
Vol 690-693 ◽  
pp. 1013-1019
Author(s):  
Xiao Juan Chen ◽  
Liu Chun Yang ◽  
Jun Feng Zhang ◽  
Yan Huang
Keyword(s):  
Calcium Sulfate ◽  
Arsenic Removal ◽  
Removal Rate ◽  
Optical Microscope ◽  
Alkaline Condition ◽  
Crystal Water ◽  
Arsenic Uptake ◽  
Ft Ir ◽  
High Removal Rate ◽  
Calcium Sulfate Whisker

Calcium sulfate whisker (CSW) was prepared through the method of cooling recrystallization. In an attempt to develop its new application in environmental protection, we investigated the effect of calcination on the material properties and arsenic uptake performance of calcium sulfate whisker anhydrate (CSAW), which was obtained from CSW calcined at 600 °C for 2 h. Moreover, XRD, SEM, optical microscope, and FT-IR were used to characterize CSW samples. It was found that calcination played an important role in the whisker structure through changing the content of crystal water and the morphology. The CSAW material exhibited a high removal rate of As3+/As5+under strongly alkaline condition.

Oxygen vacancies confined in nickel oxide nanoprism arrays for promoted electrocatalytic water splitting

2020 ◽  
Vol 44 (5) ◽  
pp. 1703-1706 ◽  
Author(s):  
Xiaoshuang Zhang ◽  
Xiaoqiang Du
Keyword(s):  
Nickel Oxide ◽  
Water Splitting ◽  
Adsorption Energy ◽  
Active Sites ◽  
Oxygen Vacancies ◽  
Dft Calculation ◽  
Catalytic Properties ◽  
Calculation Results

Experimental and DFT calculation results show that the presence of oxygen vacancies can decrease the adsorption energy of intermediates at active sites and facilitate the adsorption of intermediates, thus improving the catalytic properties.

Oxygen vacancy-confined CoMoO4@CoNiO2 nanorod arrays for oxygen evolution with improved performance

2019 ◽  
Vol 48 (27) ◽  
pp. 10116-10121 ◽  
Author(s):  
Xiaoqiang Du ◽  
Guangyu Ma ◽  
Xiaoshuang Zhang
Keyword(s):  
Oxygen Vacancy ◽  
Oxygen Evolution ◽  
Adsorption Energy ◽  
Active Sites ◽  
Oxygen Vacancies ◽  
Dft Calculation ◽  
Catalytic Properties ◽  
Nanorod Arrays ◽  
Calculation Results ◽  
Improved Performance

Experimental and DFT calculation results show that the presence of oxygen vacancies can decrease the adsorption energy of intermediates at active sites and facilitate the adsorption of intermediates, thus improving the catalytic properties.

An MOF-derived C@NiO@Ni electrocatalyst for N2 conversion to NH3 in alkaline electrolytes

2020 ◽  
Vol 4 (1) ◽  
pp. 164-170 ◽  
Author(s):  
Shijian Luo ◽  
Xiaoman Li ◽  
Wanguo Gao ◽  
Haiqiang Zhang ◽  
Min Luo
Keyword(s):  
Active Sites ◽  
Oxygen Vacancies ◽  
Reduction Reaction ◽  
Alkaline Media ◽  
Alkaline Electrolytes

MOF-derived C@NiO@Ni are proposed as an efficient electrocatalyst for N2 reduction reaction in alkaline media. Abundant oxygen vacancies and NiO/Ni interfaces can act as active sites for adsorbing nitrogen and proton, respectively.

scholarly journals Dispersion of Defects in TiO2 Semiconductor: Oxygen Vacancies in the Bulk and Surface of Rutile and Anatase

Catalysts ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 397 ◽  
Author(s):  
Mohammadreza Elahifard ◽  
Mohammad Reza Sadrian ◽  
Amir Mirzanejad ◽  
Reza Behjatmanesh-Ardakani ◽  
Seyedsaeid Ahmadvand
Keyword(s):  
Active Site ◽  
Active Sites ◽  
Oxygen Vacancies ◽  
Oxygen Deficiency ◽  
Rutile Phase ◽  
Unit Cell ◽  
Defect States ◽  
Defect Band ◽  
O Vacancy ◽  
Double Cluster

Oxygen deficiency (O-vacancy) contributes to the photoefficiency of TiO2 semiconductors by generating electron rich active sites. In this paper, the dispersion of O-vacancies in both bulk and surface of anatase and rutile phases was computationally investigated. The results showed that the O-vacancies dispersed in single- and double-cluster forms in the anatase and rutile phases, respectively, in both bulk and surface. The distribution of the O-vacancies was (roughly) homogeneous in anatase, and heterogenous in rutile bulk. The O-vacancy formation energy, width of defect band, and charge distribution indicated the overlap of the defect states in the rutile phase and thus eased the formation of clusters. Removal of the first and the second oxygen atoms from the rutile surface took less energy than the anatase one, which resulted in a higher deficiency concentration on the rutile surface. However, these deficiencies formed one active site per unit cell of rutile. On the other hand, the first O-vacancy formed on the surface and the second one formed in the subsurface of anatase (per unit cell). Supported by previous studies, we argue that this distribution of O-vacancies in anatase (surface and subsurface) could potentially create more active sites on its surface.

Ultrathin NiCo2O4 nanosheets with dual-metal active sites for enhanced solar water splitting of a BiVO4 photoanode

2019 ◽  
Vol 7 (39) ◽  
pp. 22274-22278 ◽  
Author(s):  
Chenchen Feng ◽  
Qi Zhou ◽  
Bin Zheng ◽  
Xiang Cheng ◽  
Yajun Zhang ◽  
...  
Keyword(s):  
Water Splitting ◽  
Water Oxidation ◽  
Active Sites ◽  
Oxygen Vacancies ◽  
Solar Water ◽  
Solar Water Splitting ◽  
Highly Efficient ◽  
Dual Metal ◽  
Nico2o4 Nanosheets ◽  
First Time

Spinel-structured NiCo2O4 nanosheets with dual-metal active sites, an ultrathin structure, and abundant oxygen vacancies were decorated for the first time on a BiVO4 photoanode for highly efficient PEC water oxidation.

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