Structures and properties of nano-XNH2 (X = C, Si, Ge, and Sn)
Source abstract
Abstract
The structures and properties of nano-XNH2 (X = C, Si, Ge, and Sn) are explored using Density Functional Theory (DFT). Elastic strain and width are introduced to investigate the nano-XNH2 nanosheets and nanoribbons. First, their structural parameters and lattice constants are investigated by using quadratic curve fitting methods. Second, the regulation of bandgap with the change in the elastic strain and width is investigated. The theoretical calculations show that the bandgaps of these materials can be easily modulated. Therefore, nano-XNH2 has great potential applications in stress sensors and electronic and optoelectronic devices.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: MXene and MAX Phase Materials · Boron and Carbon Nanomaterials Research · Ga2O3 and related materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Physics and Electronic Engineering, Taishan University 1 , Taian 271000, Shandong, People’s Republic of China
Department of Chemical Physics, University of Science and Technology of China 2 , Hefei 230026, Anhui, People’s Republic of China
References (32)
Show source-provided references
1. Recent advances in ultrathin two-dimensional nanomaterials10.1021/acs.chemrev.6b00558 ↗
2. Emerging two-dimensional nanomaterials for electrocatalysis10.1021/acs.chemrev.7b00689 ↗
3. Recent progress in 2D group-VA semiconductors: From theory to experiment10.1039/c7cs00125h ↗
4. Innovation and discovery of graphene-like materials via density-functional theory computations10.1002/wcms.1224 ↗
5. Graphene-analogous low-dimensional materials10.1016/j.pmatsci.2013.04.003 ↗
6. Progress in CVD synthesis of layered hexagonal boron nitride with tunable properties and their applications10.1080/09506608.2017.1322833 ↗
7. Bandgap modulation and hydrogen storage with Cr-doped BN sheets10.1142/s021797921550160x ↗
8. Gas sensitivity of Cr doped BN sheets10.4028/www.scientific.net/amm.799-800.166 ↗
9. First-principles study of tuning the band gap with Cr doped BN sheets10.4028/www.scientific.net/amm.799-800.171 ↗
10. Atomically thin boron nitride: Unique properties and applications10.1002/adfm.201504606 ↗
11. Electric structure and H2 adsorption properties of intrinsic and decorated h-ScN sheet by density functional theory10.1016/j.apsusc.2015.04.130 ↗
12. Designing sub-10-nm metal-oxide-semiconductor field-effect transistors via ballistic transport and disparate effective mass: The case of two-dimensional BiN10.1103/physrevapplied.13.044066 ↗
13. Graphitic carbon nitrides (g-C3N4) with comparative discussion to carbon materials10.1016/j.carbon.2018.09.082 ↗
14. Adv. Energy Mater. · 2018 · 8 · 170150310.1002/aenm.201701503 ↗
15. Nitrogenated holey two-dimensional structures10.1038/ncomms7486 ↗
16. Modulating band gap of C4NP-h2D crystal nanoribbons and nanotubes under elastic strain10.1039/c7ra04932c ↗
17. Density functional theory study of bandgap modulation of Si2N-h2D crystal nanoribbons and nanotubes under elastic strain10.1007/s11664-016-5164-3 ↗
18. Dependence of tunneling mechanism on two-dimensional material parameters: A high-throughput study10.1103/physrevapplied.17.064053 ↗
19. Improving the stability and optical properties of germanane via one-step covalent methyl-termination10.1038/ncomms4389 ↗
20. Strain-induced quantum spin Hall effect in methyl-substituted germanane GeCH310.1038/srep07297 ↗
21. Band-gap modulation of GeCH3 nanoribbons under elastic strain: A density functional theory study10.1007/s11664-016-4687-y ↗
22. Tuning the energy gap of SiCH3 nanomaterials under elastic strain10.1007/s11664-018-6333-3 ↗
23. Synthesis and characterization of the pentazolate anion cyclo-N5 in (N5)6(H3O)3(NH4)4Cl10.1126/science.aah3840 ↗
24. An all-electron numerical method for solving the local density functional for polyatomic molecules10.1063/1.458452 ↗
25. From molecules to solids with the DMol3 approach10.1063/1.1316015 ↗
26. Generalized gradient approximation made simple10.1103/physrevlett.77.3865 ↗
27. Germanane: A low effective mass and high bandgap 2-D channel material for future FETs10.1109/ted.2014.2325136 ↗
28. Tuning electronic properties of germanane layers by external electric field and biaxial tensile strain: A computational study10.1021/jp411783q ↗
29. Semiempirical GGA-type density functional constructed with a long-range dispersion correction10.1002/jcc.20495 ↗
30. Hybrid functionals based on a screened Coulomb potential10.1063/1.2204597 ↗
31. First principles study of fluorine substitution on two-dimensional germanane10.1088/0953-8984/26/33/335302 ↗
32. Linear band-gap modulation of graphane nanoribbons under uniaxial elastic strain: A density functional theory study10.1021/jp301691z ↗