Modulation of Gas Adsorption and Magnetic Properties of Monolayer-MoS2 by Antisite Defect and Strain

2016 ◽  
Vol 120 (26) ◽  
pp. 14113-14121 ◽  
Author(s):  
MPK Sahoo ◽  
Jie Wang ◽  
Yajun Zhang ◽  
Takahiro Shimada ◽  
Takayuki Kitamura
Keyword(s):  
Magnetic Properties ◽  
Gas Adsorption ◽  
Antisite Defect ◽  
Monolayer Mos2

Structural diversity, gas adsorption and magnetic properties of three coordination polymers based on a rigid multicarboxylate ligand

CrystEngComm ◽  
2020 ◽  
Vol 22 (42) ◽  
pp. 7046-7053
Author(s):  
Lingling Gao ◽  
Yongjun Bian ◽  
Yuan Tian ◽  
Yongqiang Chen ◽  
Tuoping Hu
Keyword(s):  
Magnetic Properties ◽  
Benzoic Acid ◽  
Coordination Polymers ◽  
Gas Adsorption ◽  
Structural Diversity ◽  
Acid Ligand

A pictogram: the gas adsorption and magnetic properties of three Co(ii) coordination polymers constructed from 3,5-di(2′,5′-dicarboxylphenyl)benzoic acid ligand have been explored.

Two new MOFs based on 5-((4-carboxypyridin-2-yl)oxy) isophthalic acid displaying unique selective CO2 gas adsorption and magnetic properties

CrystEngComm ◽  
2019 ◽  
Vol 21 (46) ◽  
pp. 7078-7084 ◽  
Author(s):  
Jian-Guo Cheng ◽  
Jiao Liu ◽  
Wen-Quan Tong ◽  
Dan Wu ◽  
Fan Yang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Gas Adsorption ◽  
Selective Adsorption ◽  
Isophthalic Acid ◽  
Carboxylate Ligand ◽  
Co2 Gas

The reaction of Cu(ii)/Co(ii) with a N-heterocyclic carboxylate ligand produced two new MOFs with different topologies. The Cu-MOF showed selective adsorption for CO2 over CH4, and the antiferromagnetic properties existed in the two MOFs.

The modulation of terahertz photoconductivity in CVD grown n-doped monolayer MoS2 with gas adsorption

2019 ◽  
Vol 31 (24) ◽  
pp. 245001 ◽  
Author(s):  
Xiao Xing ◽  
Litao Zhao ◽  
Zeyu Zhang ◽  
Xian Lin ◽  
Yang Yu ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Monolayer Mos2

Electronic structures and magnetic properties of S vacancy and Mn doped monolayer MoS2: A first-principle study

2019 ◽  
Vol 301 ◽  
pp. 113702 ◽  
Author(s):  
Long Lin ◽  
Jingtao Huang ◽  
Weiyang Yu ◽  
Linghao Zhu ◽  
Hualong Tao ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic Structures ◽  
First Principle ◽  
Monolayer Mos2 ◽  
Mn Doped

Tuning the electronic and magnetic properties of Mn-doped graphene by gas adsorption and effect of external electric field: First-principles study

2019 ◽  
Vol 33 (16) ◽  
pp. 1950166
Author(s):  
Huan Ma ◽  
Ling Ma ◽  
Liang-Cai Ma
Keyword(s):  
Magnetic Properties ◽  
Electric Field ◽  
External Electric Field ◽  
Spin Polarization ◽  
First Principles ◽  
Density Functional ◽  
Gas Adsorption ◽  
Electronic And Magnetic Properties ◽  
Doped Graphene ◽  
Mn Doped

The effect of gas molecule (H2CO, NO, NO2, O2 and SO2) adsorption on the electronic and magnetic properties of Mn-doped graphene (MnG) is investigated by first-principles calculations in the framework of density functional theory (DFT). Our study reveals that after H2CO, NO, NO2 and SO2 adsorption, MnG transforms from half-metal to semiconductor, and this transformation indicates that MnG’s conductivity is changed significantly. Meanwhile, O2 adsorption has no influence on MnG’s original electronic property. Therefore, the substrate of MnG is highly sensitive to H2CO, NO, NO2 and SO2. The reconfiguration of electron distribution caused by gas adsorption dramatically alters the spin polarization distribution of the combined system, that is, NO2 and H2CO adsorption leads to local spin polarization, whereas O2, NO and SO2 adsorption result in complete spin polarization. In addition, the external electric field (E-field) is varied from −0.50 V/Å to +0.50 V/Å then applied to the adsorption system. A strong interaction is observed between gas and MnG with a positive E-field as reflected in the enhancement of adsorption energy. The interaction is obviously weakened by introducing the E-field in the negative direction. Hence, the adsorption strength and sensitivity of gas on MnG can be effectively tuned by the E-field. The results can serve as useful references for the design of graphene-based gas sensor.

Two (3,6)-connected porous metal–organic frameworks based on linear trinuclear [Co3(COO)6] and paddlewheel dinuclear [Cu2(COO)4] SBUs: gas adsorption, photocatalytic behaviour, and magnetic properties

2015 ◽  
Vol 3 (13) ◽  
pp. 6962-6969 ◽  
Author(s):  
Jun Zhao ◽  
Wen-Wen Dong ◽  
Ya-Pan Wu ◽  
Ye-Nan Wang ◽  
Chao Wang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Visible Light ◽  
Gas Adsorption ◽  
Metal Organic Frameworks ◽  
Porous Metal ◽  
Photocatalytic Efficiency ◽  
High Uptake ◽  
Visible Light Driven ◽  
Metal Organic

Two porous MOFs based on linear [Co3(COO)6] and paddlewheel [Cu2(COO)4] SBUs, showing high visible-light-driven photocatalytic efficiency for the degradation of RhB and high uptake capacities for CO2 and H2.

Electronic structures, magnetic properties and band alignments of 3d transition metal atoms doped monolayer MoS2

2018 ◽  
Vol 382 (2-3) ◽  
pp. 111-115 ◽  
Author(s):  
Maokun Wu ◽  
Xiaolong Yao ◽  
Yuan Hao ◽  
Hong Dong ◽  
Yahui Cheng ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Electronic Structures ◽  
Monolayer Mos2 ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Band Alignments

Two lanthanide metal–organic frameworks constructed from tris(4-carboxyphenyl)phosphane oxide with gas adsorption and magnetic properties

CrystEngComm ◽  
2018 ◽  
Vol 20 (30) ◽  
pp. 4291-4296 ◽  
Author(s):  
Tuoping Hu ◽  
Qiannan Zhao ◽  
Liangqin Huo ◽  
Lingling Gao ◽  
Jie Zhang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Gas Adsorption ◽  
Metal Organic Frameworks ◽  
Alternating Current ◽  
Metal Organic ◽  
Lanthanide Metal ◽  
Adsorption Of Co

Based on the tripodal tris(4-carboxyphenyl)phosphane oxide ligand, two lanthanide metal–organic frameworks were obtained, with 1 showing highly selective gas adsorption of CO2/CH4 and 2 exhibiting direct and alternating current magnetic properties.

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