Heavy-Metal Adsorption Behavior of Two-Dimensional Alkalization-Intercalated MXene by First-Principles Calculations

2015 ◽  
Vol 119 (36) ◽  
pp. 20923-20930 ◽  
Author(s):  
Jianxin Guo ◽  
Qiuming Peng ◽  
Hui Fu ◽  
Guodong Zou ◽  
Qingrui Zhang
Keyword(s):  
Heavy Metal ◽  
First Principles ◽  
Adsorption Behavior ◽  
Metal Adsorption ◽  
Heavy Metal Adsorption ◽  
Two Dimensional ◽  
First Principles Calculations

Phase-Mediated Heavy Metal Adsorption from Aqueous Solutions Using Two-Dimensional Layered MoS2

2019 ◽  
Vol 11 (42) ◽  
pp. 38789-38797 ◽  
Author(s):  
Jinming Luo ◽  
Kaixing Fu ◽  
Meng Sun ◽  
Kai Yin ◽  
Dong Wang ◽  
...  
Keyword(s):  
Heavy Metal ◽  
Aqueous Solutions ◽  
Metal Adsorption ◽  
Heavy Metal Adsorption ◽  
Two Dimensional ◽  
Layered Mos2

scholarly journals Grafting chelating groups on 2D carbon for selective heavy metal adsorption

2021 ◽  
Author(s):  
Yuta Nishina ◽  
Kazuhide Kamiya ◽  
Risa Shibahara
Keyword(s):  
Heavy Metal ◽  
Metal Ions ◽  
Iminodiacetic Acid ◽  
Metal Adsorption ◽  
Tridentate Ligand ◽  
Heavy Metal Adsorption ◽  
Two Dimensional ◽  
Chelating Groups ◽  
Chelate Rings

Iminodiacetic acid (IDA) is a tridentate ligand, which can capture metal ions by forming two fused five-membered chelate rings. In this study, we fixed IDA moieties onto a two-dimensional nanocarbon,...

Regeneration of chitosan-based adsorbents used in heavy metal adsorption: A review

2019 ◽  
Vol 224 ◽  
pp. 373-387 ◽  
Author(s):  
Mohammadtaghi Vakili ◽  
Shubo Deng ◽  
Giovanni Cagnetta ◽  
Wei Wang ◽  
Pingping Meng ◽  
...  
Keyword(s):  
Heavy Metal ◽  
Metal Adsorption ◽  
Heavy Metal Adsorption

scholarly journals Dipole-induced Ohmic contacts between monolayer Janus MoSSe and bulk metals

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Ning Zhao ◽  
Udo Schwingenschlögl
Keyword(s):  
First Principles ◽  
Ohmic Contacts ◽  
Electrode Materials ◽  
Electronic Device ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Fermi Level Pinning ◽  
Common Electrode ◽  
Two Sides ◽  
Metallic Electrodes

AbstractUtilizing a two-dimensional material in an electronic device as channel layer inevitably involves the formation of contacts with metallic electrodes. As these contacts can dramatically affect the behavior of the device, we study the electronic properties of monolayer Janus MoSSe in contact with different metallic electrodes by first-principles calculations, focusing on the differences in the characteristics of contacts with the two sides of MoSSe. In particular, we demonstrate that the Fermi level pinning is different for the two sides of MoSSe, with the magnitude resembling that of MoS2 or MoSe2, while both sides can form Ohmic contacts with common electrode materials without any further adaptation, which is an outstanding advantage over MoS2 and MoSe2.

scholarly journals Combined Influence of Low-Grade Metakaolins and Natural Zeolite on Compressive Strength and Heavy Metal Adsorption of Geopolymers

Minerals ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 486
Author(s):  
Alcina Johnson Sudagar ◽  
Slávka Andrejkovičová ◽  
Fernando Rocha ◽  
Carla Patinha ◽  
Maria R. Soares ◽  
...  
Keyword(s):  
Heavy Metals ◽  
Heavy Metal ◽  
Compressive Strength ◽  
Natural Zeolite ◽  
Metal Adsorption ◽  
Low Grade ◽  
Heavy Metal Adsorption ◽  
Adsorption Model ◽  
X Ray ◽  
Adsorption Capacities

Metakaolins (MKs) prepared from low-grade kaolins located in the Alvarães (A) and Barqueiros (B) regions of Portugal were used as the aluminosilicate source to compare their effect on the compressive strength and heavy metal adsorption of geopolymers. Natural zeolite, an inexpensive, efficient adsorbent, was used as an additive in formulations to enhance geopolymers’ adsorption capacities and reduce MK utilization’s environmental footprint. Geopolymers were synthesized with the replacement of MK by zeolite up to 75 wt.% (A25, B25—25% MK 75% zeolite; A50, B50—50% MK 50% zeolite; A75, B75—75% MK 25% zeolite; A100, B100—100% MK). The molar ratios of SiO2/Al2O3 and Na2O/Al2O3 were kept at 1 to reduce the sodium silicate and sodium hydroxide environmental impact. Geopolymers’ crystallography was identified using X-ray diffraction analysis. The surface morphology was observed by scanning electron microscopy to understand the effect of zeolite incorporation. Chemical analysis using X-ray fluorescence spectroscopy and energy dispersive X-ray spectroscopy yielded information about the geopolymers’ Si/Al ratio. Compressive strength values of geopolymers obtained after 1, 14, and 28 days of curing indicate high strengths of geopolymers with 100% MK (A100—15.4 MPa; B100—32.46 MPa). Therefore, zeolite did not aid in the improvement of the compressive strength of both MK-based geopolymers. The heavy metal (Cd2+, Cr3+, Cu2+, Pb2+, and Zn2+) adsorption tests exhibit relatively higher adsorption capacities of Barqueiros MK-based geopolymers for all the heavy metals except Cd2+. Moreover, zeolite positively influenced divalent cations’ adsorption on the geopolymers produced from Barqueiros MK as B75 exhibits the highest adsorption capacities, but such an influence is not observed for Alvarães MK-based geopolymers. The general trend of adsorption of the heavy metals of both MK-based geopolymers is Pb2+ > Cd2+ > Cu2+ > Zn2+ > Cr3+ when fitted by the Langmuir isotherm adsorption model. The MK and zeolite characteristics influence geopolymers’ structure, strength, and adsorption capacities.

scholarly journals Two-dimensional Weyl points and nodal lines in pentagonal materials and their optical response

Nanoscale ◽  
2021 ◽  
Author(s):  
Sergio Bravo ◽  
M. Pacheco ◽  
V. Nuñez ◽  
J. D. Correa ◽  
Leonor Chico
Keyword(s):  
First Principles ◽  
Optical Response ◽  
Symmetry Analysis ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Nodal Lines

A symmetry analysis combined with first-principles calculations of two-dimensional pentagonal materials (PdSeTe, PdSeS, InP5 and GeBi2) based on the Cairo tiling reveal nontrivial spin textures, nodal lines and Weyl points.

Converting Spent LiFePO4 Battery into Zeolitic Phosphate for Highly Efficient Heavy Metal Adsorption

2021 ◽  
Author(s):  
Wensong Zou ◽  
Xuezhen Feng ◽  
Wenfei Wei ◽  
Yuanhao Zhou ◽  
Ranhao Wang ◽  
...  
Keyword(s):  
Heavy Metal ◽  
Metal Adsorption ◽  
Heavy Metal Adsorption ◽  
Highly Efficient ◽  
Lifepo4 Battery

Ferromagnetic Dirac Half-Metallicity in Transition Metal Embedded Honeycomb Borophene

2021 ◽  
Author(s):  
Yanxia Wang ◽  
Xue Jiang ◽  
Yi Wang ◽  
Jijun Zhao
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Valence Electron ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Next Generation ◽  
Half Metallicity ◽  
Counting Rule ◽  
Spintronic Devices ◽  
Electron Counting

Exploring two-dimensional (2D) ferromagnetic materials with intrinsic Dirac half-metallicity is crucial for the development of next-generation spintronic devices. Based on first-principles calculations, here we propose a simple valence electron-counting rule...

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