Cover Page April-2019-Advanced Materials Letters

Advanced Materials Letters

Volume 10, Issue 4, Article ID 275-278, April 2019
About Cover

The cover photo describes the ring topological structure of carbon nucleus (using vortex-fractal-ring theory), which consists from two globules with 3 protons globule substructures. As discussed by, this vortex-fractal-ring theory is a new and original view of elementary particles and the structure of atomic nuclei, atoms, and molecules. Its basics are simple for understanding through the comprehensive topological structure that does not need description by complicated mathematical formulas. This theory together with grammatical evolution can design new models of nanostructures and allows us to understand the fundamental physical and chemical reasons for the stability and reactivity of atoms and molecules.


Bi-doped CH3NH3PbI3 effective masses and electronic properties research: A theoretical study using VASP

Liping Peng*

School of Mathematics and Physics, Huanggang Normal University, Newport NO.2 Road, Hubei, Huanggang, 438000, P. R. China

Adv. Mater. Lett., 2019, 10 (4), pp 275-278

DOI: 10.5185/amlett.2019.2232

Publication Date (Web): Jan 10, 2019

E-mail: pengliping@hgnu.edu.cn

Abstract


We calculated the effective masses and electronic properties of Bi-doped CH3NH3PbI3 perovskites as a thermoelectric material using the VASP functional. The Bismuth doping concentration of 11.1%, 20%, 33.3% corresponding band gaps are 1.46. 0.75, 0.56 eV, respectively. The effective masses of carriers and the band gaps decrease with the doping concentration addition. We found that the structure of Bi as an interstitial atom doped MAPbI3 were much more stable than undoped one by the crystal systemic energy, and the Bi doping made the Fermi Level shift close to the bottom of conduction band, leading to charge carrier close to the Fermi level, resulted in the higher electrical conductivity. Moreover, Bi doping produced a smaller electron effective mass with doping concentration addition, increasing the MAPbI3’s mobility. As a result, the Bi-doped MAPbI3 could simultaneously enhance the electrical conductivity and Seebeck coefficient. Our results showed that Bi doped MAPbI3 is a promising approach to develop thermoelectric and photovoltaic properties in organic-inorganic hybrid perovskite materials.

Keywords

Bi-doped MAPbI3, effective masses, electrical conductivity, seebeck coefficient, fermi level.

Current Issue
The Journey of a Decade to Advancing Materials
Are the Electrospun Polymers Polymeric Fibers?
Mechanical and Thermal Properties of Composite Material and Insulation for a Single Walled Tank for Cryogenic Liquids
Prediction of Long-Term Behavior for Dynamically Loaded TPU
Investigation of Doped Titanium Dioxide in Anatase Phase. Study ab initio using Density Functional Theory
Comparison between Single Al2O3 or HfO2 Single Dielectric Layers and their Nanolaminated Systems
Preparation of Stable and Optimized Antibody-gold Nanoparticle Conjugates for Point of Care Test Immunoassays
Resonance-Based Temperature Sensors using a Wafer Level Vacuum Packaged SOI MEMS Process
Integrated System Based on the Hall Sensors Incorporating Compensation of the Distortions
The Efficacy of Cinnamomum Tamala as a Potential Antimicrobial Substance against the Multi-Drug Resistant Enterococcus Faecalis from Clinical Isolates
The Effect of Complexing Reagent on Structural, Electrical and Optical Properties of CuS Thin Film
Laser Cladding of Fluorapatite Nanopowders on Ti6Al4V
Preparation and Evaluation of Sulfonate Polyethylene Glycol Borate Ester as a Modifier of Functional Properties of Complex Petroleum Lithium Grease

Upcoming Congress

Knowledge Experience at Sea TM