On-surface synthesis of two-dimensional imine polymers with a tunable band gap: a combined STM, DFT and Monte Carlo investigation

Nanoscale ◽  
2016 ◽  
Vol 8 (16) ◽  
pp. 8568-8574 ◽  
Author(s):  
Lirong Xu ◽  
Yanxia Yu ◽  
Jianbin Lin ◽  
Xin Zhou ◽  
Wei Quan Tian ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Band Gap ◽  
Two Dimensional ◽  
2D Polymers ◽  
Monte Carlo Investigation ◽  
Tunable Band Gap

We introduce a strategy to tune the band gap of 2D imine polymers by adjusting the conjugation size of the monomer backbone, and the structures of the designed 2D polymers were studied both theoretically and experimentally.

Two-dimensional Ga2O2 monolayer with tunable band gap and high hole mobility

2021 ◽  
Vol 23 (1) ◽  
pp. 666-673
Author(s):  
Li Shao ◽  
Xiangyang Duan ◽  
Yan Li ◽  
Fanguang Zeng ◽  
Honggang Ye ◽  
...  
Keyword(s):  
Band Gap ◽  
Hole Mobility ◽  
Two Dimensional ◽  
Tunable Band Gap

The Ga2O2 sheet possesses two stacked Ga–O layers with a bulking height d of 4.065 Å and adsorption coefficients above 105 cm−1.

Tunable band gap and magnetism of the two-dimensional nickel hydroxide

RSC Advances ◽  
2015 ◽  
Vol 5 (94) ◽  
pp. 77154-77158 ◽  
Author(s):  
Zhen-Kun Tang ◽  
Wei-Wei Liu ◽  
Deng-Yu Zhang ◽  
Woon-Ming Lau ◽  
Li-Min Liu
Keyword(s):  
Magnetic Properties ◽  
Band Gap ◽  
Nickel Hydroxide ◽  
First Principles ◽  
Electronic Structures ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Tunable Band Gap

The electronic structures and magnetic properties of two dimensional (2D) hexagonal Ni(OH)2 are explored based on first-principles calculations.

First-principles and Monte Carlo investigation of magnetic properties of two-dimensional transition metal alloyed boron-carbide CrFeBC sheet

2022 ◽  
Vol 202 ◽  
pp. 110964
Author(s):  
Yusuf Zuntu Abdullahi ◽  
Zeynep Demir Vatansever ◽  
Ethem Aktürk ◽  
Ümit Akıncı ◽  
Olcay Üzengi Aktürk
Keyword(s):  
Monte Carlo ◽  
Magnetic Properties ◽  
Transition Metal ◽  
Boron Carbide ◽  
First Principles ◽  
Two Dimensional ◽  
Monte Carlo Investigation

Investigation of strain behavior and carrier mobility of organic–inorganic hybrid perovskites: (C4H9NH3)2GeI4 and (C4H9NH3)2SnI4

Nanoscale ◽  
2020 ◽  
Vol 12 (44) ◽  
pp. 22551-22563
Author(s):  
Ye Su ◽  
Shuo Cao ◽  
Li-Bin Shi ◽  
Ping Qian
Keyword(s):  
Band Gap ◽  
Structural Stability ◽  
Carrier Mobility ◽  
Two Dimensional ◽  
Inorganic Hybrid ◽  
Strain Behavior ◽  
Tunable Band Gap

Two dimensional (2D) organic–inorganic hybrid perovskites have attracted great interest due to their tunable band gap and structural stability.

Tunable band gap and hydrogen adsorption property of a two-dimensional porous polymer by nitrogen substitution

2013 ◽  
Vol 15 (2) ◽  
pp. 666-670 ◽  
Author(s):  
Ruifeng Lu ◽  
Zhaoshun Meng ◽  
Erjun Kan ◽  
Feng Li ◽  
Dewei Rao ◽  
...  
Keyword(s):  
Band Gap ◽  
Hydrogen Adsorption ◽  
Adsorption Property ◽  
Porous Polymer ◽  
Two Dimensional ◽  
Nitrogen Substitution ◽  
Tunable Band Gap
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