journal article·2022-08

Sorption studies of dimethyl sulfoxide and tetrahydrofuran on gamma arsenene nanotubes – A first-principles study

V. Nagarajan, R. Chandiramouli

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: 2D Materials and Applications · Graphene research and applications · Advanced Thermoelectric Materials and Devices

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (75)

Show source-provided references
1. Carbon Nanotube Assembly and Integration for Applications10.1186/s11671-019-3046-3 ↗
2. Two-dimensional pnictogens, their chemistry and applications10.1016/j.flatc.2018.12.002 ↗
3. Structures, properties and application of 2D monoelemental materials (Xenes) as graphene analogues under defect engineering10.1016/j.nantod.2020.100906 ↗
4. 2D Material Chemistry: Graphdiyne-based Biochemical Sensing10.1007/s40242-020-0181-4 ↗
5. Recent advance in near-infrared/ultrasound-sensitive 2D-nanomaterials for cancer therapeutics近红外或超声敏感的二维纳米材料用于癌症诊疗的研究进展10.1007/s40843-020-1387-7 ↗
6. Chemosensing nature of black phosphorene nanotube towards C14H9Cl5 and C10H5Cl7 molecules – A first-principles insight10.1016/j.comptc.2020.113109 ↗
7. Carbon nanotube: A novel material for applications10.1088/1742-6596/187/1/012002 ↗
8. Carbon nanotube biosensors10.3389/fchem.2015.00059 ↗
9. Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers10.1021/jp505257g ↗
10. DFT study of structural, elastic, electronic and dielectric properties of blue phosphorus nanotubes10.1038/s41598-019-47764-7 ↗
11. Self-assembled chiral phosphorus nanotubes from phosphorene: a molecular dynamics study10.1039/C7RA03807K ↗
12. Puckered arsenene single-walled nanotubes: Stability, geometry, and electronic properties10.1016/j.commatsci.2019.109108 ↗
13. Structural transition induced by compression and stretching of puckered arsenene nanotubes10.1039/C9CP05000K ↗
14. Structural, mechanical, and electronic properties of nanotubes based on buckled arsenene: A first-principles study
15. Magneto-electronics, transport properties, and tuning effects of arsenene armchair nanotubes doped with transition metal atoms10.1088/1361-6528/ab89d0 ↗
16. Arsenene nanosheets and nanodots10.1039/C8NJ03186J ↗
17. Dynamically Stable Topological Phase of Arsenene10.1038/s41598-019-44444-4 ↗
18. Two dimensional allotropes of arsenene with a wide range of high and anisotropic carrier mobility10.1039/C8CP06162A ↗
19. https://pubchem.ncbi.nlm.nih.gov/compound/Dimethyl-sulfoxide.
20. Adsorption of dimethyl sulfoxide on blue phosphorene10.1016/j.susc.2018.10.019 ↗
21. Dimethyl sulfoxide (DMSO) produces widespread apoptosis in the developing central nervous system10.1016/j.nbd.2008.11.006 ↗
22. DFT study of the dimethyl sulfoxide reduction on silicene10.1016/j.apsusc.2018.10.114 ↗
23. https://pubchem.ncbi.nlm.nih.gov/compound/Tetrahydrofuran.
24. Recent advances in the polyurethane-based adsorbents for the decontamination of hazardous wastewater pollutants10.1016/j.jhazmat.2021.125960 ↗
25. Assessment of toxicity of tetrahydrofuran on the microbial community in activated sludge10.1016/j.biortech.2010.02.051 ↗
26. QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
27. Generalized Gradient Approximation Made Simple10.1103/PhysRevLett.77.3865 ↗
28. Generalized gradient approximation for the exchange-correlation hole of a many-electron system10.1103/PhysRevB.54.16533 ↗
29. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
30. First-principles research on adsorption properties of o-xylene and styrene on 5–8 phosphorene sheets10.1016/j.cplett.2020.138244 ↗
31. Sorption studies and removal of chlortetracycline and oxytetracycline using theta phosphorene nanoribbon – A DFT outlook10.1016/j.molliq.2021.117070 ↗
32. Ultrahigh Carrier Mobility in the Two-Dimensional Semiconductors B8Si4, B8Ge4, and B8Sn410.1021/acs.chemmater.1c01824 ↗
33. Structure Prototype Outperforming MXenes in Stability and Performance in Metal-Ion Batteries: A High Throughput Study10.1002/aenm.202003633 ↗
34. Adsorption properties of acetylene and ethylene molecules onto pristine and nickel-decorated Al12N12 nanoclusters10.1016/j.matchemphys.2017.04.002 ↗
35. Ga-doped and antisite double defects enhance the sensitivity of boron nitride nanotubes towards Soman and Chlorosoman10.1016/j.apsusc.2017.03.187 ↗
36. Adsorption of thiophene on the surfaces of X12Y12 (X = Al, B, and Y = N, P) nanoclusters; A DFT study10.1016/j.molliq.2017.05.020 ↗
37. Zipper phosphorene as sensing element towards formaldehyde and acetaldehyde – A first-principles insight10.1016/j.jmgm.2021.107971 ↗
38. Interaction studies of dichlobenil and isoproturon on square-octagon phosphorene nanotube based on DFT frame work10.1016/j.cplett.2021.138773 ↗
39. Chemisorption of NO on Pt-decorated graphene as modified nanostructure media: A first principles study10.1016/j.apsusc.2015.11.126 ↗
40. First-principles study of the small molecule adsorption on the InSe monolayer10.1016/j.apsusc.2017.07.198 ↗
41. Electrocatalytic nitrogen reduction on the transition-metal dimer anchored N-doped graphene: performance prediction and synergetic effect10.1039/D0CP04843G ↗
42. Adsorption mechanism of p- aminophenol over silver-graphene composite: A first principles study10.1016/j.molliq.2021.117415 ↗
43. Highly selective acridinium based cyanine dyes for the detection of DNA base pairs (adenine, cytosine, guanine and thymine)10.1016/j.comptc.2019.112509 ↗
44. Reversible hydrogen storage properties of defect-engineered C4N nanosheets under ambient conditions10.1016/j.carbon.2019.05.080 ↗
45. Augmenting the sensing aptitude of hydrogenated graphene by crafting with defects and dopants10.1016/j.snb.2015.12.075 ↗
46. Cyclic versus straight chain oligofuran as sensor: A detailed DFT study10.1016/j.jmgm.2020.107569 ↗
47. Sorption studies of sulfadimethoxine and tetracycline molecules on β-antimonene nanotube - A first-principles insight10.1016/j.jmgm.2021.107988 ↗
48. Enhancement in hydrogen storage capacities of light metal functionalized Boron-Graphdiyne nanosheets10.1016/j.carbon.2019.02.085 ↗
49. First-principles study for exploring the adsorption behavior of G-series nerve agents on graphdyine surface10.1016/j.comptc.2020.113043 ↗
50. Interactions of B12N12 fullerenes on graphene and boron nitride nanosheets: A DFT study10.1016/j.jmgm.2018.10.003 ↗
51. Effect of homonuclear boron bonds in the adsorption of DNA nucleobases on boron nitride nanosheets10.1016/j.molliq.2020.114951 ↗
52. Efficient and selective sensing of nitrogen-containing gases by Si 2 BN nanosheets under pristine and pre-oxidized conditions10.1016/j.apsusc.2018.11.020 ↗
53. Influence of NiO decoration on adsorption capabilities of black phosphorus monolayer toward nitrogen dioxide: periodic DFT calculations10.1080/08927022.2020.1802023 ↗
54. Chandiramouli, Alcohol molecular interaction studies on stair phosphorene nanosheets: a first-principles approach10.1007/s11224-020-01615-8 ↗
55. Detection of CNX cyanogen halides (X = F, Cl) on metal-free defective phosphorene sensor: periodic DFT calculations10.1080/00268976.2020.1819577 ↗
56. Ab initio study of NH3 and H2O adsorption on pristine and Na-doped MgO nanotubes10.1007/s11224-012-0047-6 ↗
57. A theoretical study on surface modification of a nanosized BC3 tube using C2H4 and its derivatives10.1007/s11224-013-0276-3 ↗
58. Interaction studies of tuberculosis biomarker vapours on novel beta arsenene sheets – A DFT insight10.1016/j.comptc.2021.113426 ↗
59. Kagome phosphorene molecular device for sensing chloropicrin and phosgene – A first-principles study10.1016/j.cplett.2021.138472 ↗
60. A Theoretical Study of OH and OCH3 Free Radical Adsorption on a Nanosized Tube of BC2N10.1007/s10876-013-0593-0 ↗
61. Two-dimensional porous transition metal organic framework materials with strongly anchoring ability as lithium-sulfur cathode10.1016/j.ensm.2019.09.003 ↗
62. Structural complexity and wide application of two-dimensional S/O type antimonene10.1016/j.apsusc.2018.01.218 ↗
63. First-principles insight into Ni-doped InN monolayer as a noxious gases scavenger10.1016/j.apsusc.2019.07.218 ↗
64. Pt & Pd decorated CNT as a workable media for SOF2 sensing: A DFT study10.1016/j.apsusc.2018.12.016 ↗
65. A first principle simulation of competitive adsorption of SF6 decomposition components on nitrogen-doped anatase TiO2 (101) surface10.1016/j.apsusc.2017.06.039 ↗
66. Molecular adsorption studies of formaldehyde and methanol on novel twisted bilayer beta phosphorene sheets – a first-principles investigation10.1080/00268976.2021.1966535 ↗
67. Interaction studies of diclofenac and ibuprofen molecules on armchair bismuthene nanotubes: A first-principles study10.1016/j.chemphys.2021.111169 ↗
68. Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study10.1016/j.apsusc.2016.02.230 ↗
69. Adsorption of 3d transition-metal atom on InSe monolayer: A first-principles study10.1016/j.commatsci.2018.03.067 ↗
70. Nanofilter platform based on functionalized carbon nanotubes for adsorption and elimination of Acrolein, a toxicant in cigarette smoke10.1016/j.apsusc.2018.03.108 ↗
71. Modulating electronic, magnetic and chemical properties of MoS2 monolayer sheets by substitutional doping with transition metals10.1016/j.apsusc.2015.12.142 ↗
72. Influence of defects and dopants on the sensitivity of arsenene towards HCN10.1016/j.apsusc.2019.144936 ↗
73. Chemisorption of sulfaguanidine and sulfanilamide drugs on bismuthene nanosheet based on first-principles studies10.1016/j.apsusc.2021.149990 ↗
74. Interaction studies of glycine, acetate and methylamine on β-tellurene nanoribbon – A first-principles analysis10.1016/j.jmgm.2021.107895 ↗
75. The influence of dopants on aW-phase antimonene: theoretical investigations10.1039/C9RA10772J ↗