Results 41 to 50 of about 2,793 (166)

Small molecule gas adsorption onto blue phosphorene oxide layers

, 2021
We report a first-principles study of the electronic and optical properties of BPO (Blue phosphorene oxide) and BPO-V (Blue phosphorene oxide with vacancy) with the adsorption of low molecular weight gases (CH4, CO2, CO, SO2, and O2).
Flórez E., Correa J.D., Mora-Ramos M.E., Zuluaga-Hernandez E.A., Dorkis L.   +4 more
core   +1 more source

Producing air-stable monolayers of phosphorene and their defect engineering

Nature Communications, 2016
It has been a long-standing challenge to produce air-stable few- or monolayer phosphorene. Here, the authors demonstrate a new highly controllable method for fabricating high quality, air-stable mono- and few-layer phosphorene films, enabling precise ...
Jiajie Pei, Xin Gai, Jiong Yang, Xibin Wang, Zongfu Yu, Duk-Yong Choi, Barry Luther-Davies, Yuerui Lu   +7 more
doaj   +1 more source

OPTICAL PROPERTIES OF BLUE PHOSPHORENE CONSIDERING MANY-BODY EFFECTS [PDF]

, 2023
"The electronic band structure of blue phosphorene was obtained by using Density Functional Theory within the Generalized Gradient Approximation. It is observed, based on its band structure, that blue phosphorene shows a semiconducting nature, with an ...
Juan Jose Nava
core  

Nitrogen-doped phosphorene for electrocatalytic ammonia synthesis

, 2020
The rapid surface oxidation of phosphorene under ambient conditions is considered to be a serious issue for many applications, but is used here as a strategy to achieve efficient heteroatom doping.
Shapter, Joseph G., Shapter, Joseph G, Nine, Md J, Nine, Md J., Chen, Y., Li, Hao, Bati, Abdulaziz S. R., Chen, Yu, Bati, A.S.R., Nine, M.J., Bat-Erdene, Munkhjargal, Ma, T., Batmunkh, Munkhbayar, Shapter, J.G., Ma, Tianyi, Xu, G., Batmunkh, M., Li, H., Bati, Abdulaziz SR, Bat-Erdene, M., Losic, D., Losic, Dusan, Xu, Guangrui   +22 more
core   +1 more source

Dynamic instability of lithiated phosphorene

RSC Advances, 2020
Introduction of C improves transition capacity between intercalation and conversion reactions for multilayer phosphorene.
Lingchun Jia, Hongchun Yuan, Yingli Chang, Mu Gu, Jiajie Zhu   +4 more
openaire   +3 more sources

Atomistic simulation of the uniaxial tension of black phosphorene nanotubes

Vietnam Journal of Mechanics, 2018
In the present work, the uniaxial tensile tests of 3 pairs black phosphorene nanotubes are simulated by molecular dynamics finite element method with Stillinger-Weber potential. Each pair contains an armchair black phosphorene nanotube and a zigzag one,
Van-Trang Nguyen, Danh-Truong Nguyen, Minh-Quy Le   +2 more
doaj   +1 more source

Chemistry of Phosphorene: Synthesis, Functionalization and Biomedical Applications in an Update Review

Inorganics, 2020
The present review aims to highlight the potential of an emerging 2D single element material: phosphorene. Attention is focused on the more recent studies on phosphorene, in terms of synthetic approaches, modification aimed at its stabilization, and ...
Monica Pica, Roberto D’Amato
doaj   +1 more source

Mechanistic insights in phosphorene degradation [PDF]

Physical Review Materials, 2019
The structural and chemical degradations of phosphorene severely limit its practical applications despite the enormous promise. In this regard, we investigate a plethora of microscopic kinetic mechanisms and develop a degradation phase diagram within the first-principles calculations.
Rohit Babar, Mukul Kabir
openaire   +2 more sources

Fabrication of Ternary Titanium Dioxide/Polypyrrole/Phosphorene Nanocomposite for Supercapacitor Electrode Applications

Molecules
In this paper, we report a titanium dioxide/polypyrrole/phosphorene (TiO2/PPy/phosphorene) nanocomposite as an active material for supercapacitor electrodes.
Seungho Ha, Keun-Young Shin
doaj   +1 more source

Electronic and magnetic properties of doped black phosphorene with concentration dependence

Beilstein Journal of Nanotechnology, 2019
In this paper, we employed first-principles calculations and chose Si and S atoms as impurities to explore the concentration-dependence of electronic structure and magnetism of doped phosphorene.
Ke Wang, Hai Wang, Min Zhang, Yan Liu, Wei Zhao   +4 more
doaj   +1 more source