First principles study on toxic gas adsorption of PtSe2/GaN heterostructure modified by Cu-group elements
Bibliographic record
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 · Gas Sensing Nanomaterials and Sensors · GaN-based semiconductor devices and materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (56)
Show source-provided references
1. Comparative assessment of CO2 capture technologies for carbon-intensive industrial processes10.1016/j.pecs.2011.05.001 ↗
2. Steel all over the world: Estimating in-use stocks of iron for 200 countries10.1016/j.resconrec.2012.11.008 ↗
3. Techno-economic evaluation of innovative steel production technologies10.1016/j.jclepro.2014.05.063 ↗
4. Technologies and policies to decarbonize global industry: Review and assessment of mitigation drivers through 207010.1016/j.apenergy.2020.114848 ↗
5. Atmospheric heavy metals and Arsenic in China: situation, sources and control policies10.1016/j.atmosenv.2013.03.031 ↗
6. Research progress of gas sensor based on graphene and its derivatives: A review10.3390/app8071118 ↗
7. Metal-oxide semiconductors for carbon monoxide (CO) gas sensing: A review
8. Toxic CO-ingestions in intentional carbon monoxide poisoning10.1016/j.jemermed.2012.08.033 ↗
9. Carbon monoxide poisoning—A public health perspective10.1016/S0300-483X(99)00217-6 ↗
10. Technologies for the nitrogen oxides reduction from flue gas: A review10.1016/j.scitotenv.2020.136712 ↗
11. A review on the removal of nitrogen oxides from polluted flow by bioreactors10.1139/A10-007 ↗
12. Recent advances in carbon material-based NO2 gas sensors10.1016/j.snb.2017.08.203 ↗
13. Graphene–metal oxide nanohybrids for toxic gas sensor: A review10.1016/j.snb.2015.07.070 ↗
14. Recent development in nanocarbon materials for gas sensor applications10.1016/j.snb.2018.07.040 ↗
15. W. Shao, C. He, M.i. Zhou, et al., Core-shell-structured MOF-derived 2D hierarchical nanocatalysts with enhanced Fenton-like activities, J. Mater. Chem. A 8 (2020) 3168–3179. Doi: 10.1039/C9TA12099H.10.1039/C9TA12099H ↗
16. Gas sensing properties of a two-dimensional graphene/h-BN multi-heterostructure toward H2O, NH3 and NO2: a first principles study10.1016/j.apsusc.2021.150454 ↗
17. First-principles screening in Cu-embedded PtSe2 monolayer as a potential gas sensor upon CO and HCHO in dry-type transformers10.1016/j.comptc.2021.113586 ↗
18. Adsorption of CO, NH3, NO and NO2 on pristine and defective g-GaN: Improved gas sensing and functionalization10.1016/j.apsusc.2020.147275 ↗
19. Selective gas adsorption and I-V response of monolayer boron phosphide introduced by dopants: a first-principle study10.1016/j.apsusc.2017.08.187 ↗
20. van der Waals heterostructures combining graphene and hexagonal boron nitride10.1038/s42254-018-0016-0 ↗
21. Van der Waals heterostructures and devices10.1038/natrevmats.2016.42 ↗
22. Mixed-dimensional van der Waals heterostructures10.1038/nmat4703 ↗
23. Emerging van der Waals junctions based on TMDs materials for advanced gas sensors10.1016/j.ccr.2021.214151 ↗
24. The PtSe2/GaN van der Waals heterostructure photocatalyst with type II alignment: A first-principles study10.1016/j.apcata.2021.118332 ↗
25. RETRACTED: Adsorption of gas molecules on the defective stanene nanosheets with single vacancy: A DFT study10.1016/j.apsusc.2020.145727 ↗
26. DFT investigation of transition metal-doped graphene for the adsorption of HCl gas10.1016/j.diamond.2023.109995 ↗
27. Substitutional doping effect of C3N anode material: A first principles calculations study10.1016/j.apsusc.2021.151330 ↗
28. DFT investigation of H2S and SO2 adsorption on Zn modified MoSe210.1016/j.spmi.2021.107098 ↗
29. Enhancement of adsorption performance of gases in oil on a Cr3- modified SnS2 monolayer based on the first principles10.1021/acs.langmuir.3c01879 ↗
30. The adsorption performance of harmful gas on Cu doped WS2: A first-principle study
31. A DFT study of gas molecules adsorption on intrinsic and Cu-doped graphene gas nanosensors10.1088/1402-4896/ac8eee ↗
32. Feasibility of pristine, Al-doped and Ga-doped Boron Nitride nanotubes for detecting SF4 gas: A DFT, NBO and QTAIM investigation10.1016/j.apsusc.2020.145490 ↗
33. Comprehensive study of lithium adsorption and diffusion on Janus Mo/WXY (X, Y= S, Se, Te) using first-principles and machine learning approaches10.1021/acsami.1c05508 ↗
34. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
35. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
36. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
37. DFT-D3 study of some molecular crystals10.1021/jp501237c ↗
38. Semiempirical GGA-type density functional constructed with a long-range dispersion correction10.1002/jcc.20495 ↗
39. G. Wang 1, F. Zhou, B. Yuan, et al., Strain-tunable visible-light-responsive photocatalytic properties of two-dimensional CdS/g-C3N4: a hybrid density functional study, Nanomaterials-Basel 9 (2019) 244. Doi: 10.3390/nano9020244.10.3390/nano9020244 ↗
40. DFT study of adsorption behavior of NO, CO, NO2 and NH3 molecules on graphene-like BC3: A search for highly sensitive molecular sensor10.1016/j.apsusc.2017.08.048 ↗
41. DFT study on the selective adsorption properties of modified graphene for SF6 decompositions
42. Exploration of sensing of nitrogen dioxide and ozone molecules using novel TiO2/Stanene heterostructures employing DFT calculations10.1016/j.apsusc.2018.02.183 ↗
43. First-principles calculations of molecular adsorption on the surface of two-dimensional BCOH10.1016/j.chemphys.2021.111442 ↗
44. Improving gas sensing properties of graphene by introducing dopants and defects: A first-principles study
45. Computational discovery of single-layer III-V materials10.1103/PhysRevB.87.165415 ↗
46. Computational search for single-layer transition-metal dichalcogenide photocatalysts10.1021/jp405808a ↗
47. Intrinsic and extrinsic spin-orbit coupling and spin relaxation in monolayer PtSe210.1103/PhysRevB.103.125409 ↗
48. In-situ fabrication of PtSe2/GaN heterojunction for self-powered deep ultraviolet photodetector with ultrahigh current on/off ratio and detectivity10.1007/s12274-018-2200-z ↗
49. Thickness-dependent phase stability and electronic properties of GaN nanosheets and MoS2/GaN van der Waals heterostructures10.1021/acs.jpcc.8b10915 ↗
50. Tuning the electronic properties of monolayer and bilayer PtSe2 via strain engineering10.1039/C6TC00130K ↗
51. Intriguing electronic structures and carrier mobilities of two-dimensional GaN nanosheets: Thickness and surface effects10.1016/j.commatsci.2019.109337 ↗
52. Theoretical approach to boosting NH3-sensing based on GeSe/SnS vdW heterostructure with strain modulation10.1016/j.apsusc.2022.154080 ↗
53. Strain-tunable visible-light-responsive photocatalytic properties of two-dimensional CdS/g-C3N4: A hybrid density functional study10.3390/nano9020244 ↗
54. DFT study of Cu-modified and Cu-embedded WSe2 monolayers for cohesive adsorption of NO2, SO2, CO2 and H2S10.1016/j.apsusc.2022.152522 ↗
55. Adsorption of toxic and harmful gas CO on TM (Ni, Pd, Pt) doped MoTe2 monolayer: A DFT study
56. Room temperature detection of nitrogen dioxide gas sensor based on Pt-modified MoSe2 nanoflowers Experimental and theoretical analysis10.1016/j.apsusc.2022.155527 ↗