2018
DOI: 10.1039/c8ra00320c
|View full text |Cite
|
Sign up to set email alerts
|

Two-dimensional penta-Sn3H2 monolayer for nanoelectronics and photocatalytic water splitting: a first-principles study

Abstract: Exploring two-dimensional materials with novel properties is becoming particularly important due to their potential applications in future electronics and optoelectronics.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

1
4
0
1

Year Published

2019
2019
2023
2023

Publication Types

Select...
6
1

Relationship

0
7

Authors

Journals

citations
Cited by 9 publications
(6 citation statements)
references
References 36 publications
1
4
0
1
Order By: Relevance
“…Similar ab initio/MD calculations of angular distribution of penta-structure of graphene, stanene, SiC 5 are validated in [26,55,[65][66][67]. The sp 2 hybridization peak angle of Si-Si-Si atom in our penta-silicene model is close to the value of around 111°-112° of Si-Si-Si angle in high-buckled pentasilicene [27] and analogous C-C-C and Sn-Sn-Sn angle [26,65,66].…”
Section: Topological Structure Of Penta-silicenesupporting
confidence: 71%
“…Similar ab initio/MD calculations of angular distribution of penta-structure of graphene, stanene, SiC 5 are validated in [26,55,[65][66][67]. The sp 2 hybridization peak angle of Si-Si-Si atom in our penta-silicene model is close to the value of around 111°-112° of Si-Si-Si angle in high-buckled pentasilicene [27] and analogous C-C-C and Sn-Sn-Sn angle [26,65,66].…”
Section: Topological Structure Of Penta-silicenesupporting
confidence: 71%
“…Actually, for an efficient water splitting system, the condition of an appropriate band edge position should be considered, in which the energy of the VBM of the semiconductor should be larger than the oxidation potential of O 2 /H 2 O (1.23 eV vs. normal hydrogen electrode (NHE)) and the CBM energy should be smaller than the reduction potential of H + /H 2 (0 eV vs. NHE). 79 The band edge position with respect to the NHE was calculated via the following equation: 80,81…”
Section: Resultsmentioning
confidence: 99%
“…The band edge position with respect to the NHE was calculated via the following equation: 80,81 where, E 0 and E HSE06 g are the free electron energy on the hydrogen scale (∼−4.50 eV) and the band gap energy computed via the HSE06 functional, respectively, and χ is the absolute electronegativity of the semiconductor calculated using the following equation: 82,83 where, χ X , χ Y and χ Z are the absolute electronegativity of X, Y and Z atoms (X = Si, Y = C and Z = N atom), while α , β and γ are the number of Si, C and N atoms, respectively. The values of absolute electronegativity of these atoms were calculated by Bartolotti: 84 χ Si = 3.60 eV, χ C = 5.13 eV and χ N = 6.97 eV.…”
Section: Resultsmentioning
confidence: 99%
“…Tầm quan trọng của độ nhấp nhô là tác động thay đổi độ rộng vùng cấm (Huang, Kang, & Yang, 2013). Chính vì vậy, sự phụ thuộc của độ nhấp nhô với áp suất và nhiệt độ trở nên quan trọng khi được sử dụng để tăng cường độ rộng vùng cấm, đặc biệt là với vật liệu bán dẫn như Si và Ge (Zhang et al, 2018). Do vậy, độ nhấp nhô của 4 mô hình penta-silicne (đường màu liền nét trên Hình 4d) được so sánh với mô hình silicene dạng tổ ong và vô định hình (đường gạch gạch và đường chấm chấm).…”
Section: Tác độNg Của Quá Trình Làm Lạnh Lên Cấu Trúc Của Penta-siliceneunclassified