scholarly journals A porous nitrogen and phosphorous dual doped graphene blocking layer for high performance Li–S batteries

2015 ◽  
Vol 3 (32) ◽  
pp. 16670-16678 ◽  
Author(s):  
Xingxing Gu ◽  
Chuan-jia Tong ◽  
Chao Lai ◽  
Jingxia Qiu ◽  
Xiaoxiao Huang ◽  
...  
Keyword(s):  
Dft Calculations ◽  
First Principles ◽  
High Performance ◽  
Blocking Layer ◽  
Doped Graphene

A porous N and P dual doped graphene interlayer was fabricated for improved conductivity and polysulfide capture in Li–S batteries, supported by first-principles DFT calculations.

Band-gap tuning of graphene by Be doping and Be, B co-doping: a DFT study

RSC Advances ◽  
2015 ◽  
Vol 5 (69) ◽  
pp. 55762-55773 ◽  
Author(s):  
Saif Ullah ◽  
Akhtar Hussain ◽  
WaqarAdil Syed ◽  
Muhammad Adnan Saqlain ◽  
Idrees Ahmad ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
First Principles ◽  
Density Functional ◽  
Functional Theory ◽  
Co Doping ◽  
Structural And Electronic Properties ◽  
Doped Graphene ◽  
Band Gap Tuning ◽  
Co Doped

First-principles density functional theory (DFT) calculations were carried out to investigate the structural and electronic properties of beryllium (Be) doped and, Be with boron (B) co-doped graphene systems.

A first-principles study on the electronic and optical properties of a type-II C2N/g-ZnO van der Waals heterostructure

2021 ◽  
Vol 23 (6) ◽  
pp. 3963-3973
Author(s):  
Jianxun Song ◽  
Hua Zheng ◽  
Minxia Liu ◽  
Geng Zhang ◽  
Dongxiong Ling ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
First Principles ◽  
Van Der Waals ◽  
Band Alignment ◽  
Type Ii ◽  
Electronic And Optical Properties ◽  
Direct Bandgap ◽  
Van Der Waals Heterostructure ◽  
Vdw Heterostructure

The structural, electronic and optical properties of a new vdW heterostructure, C2N/g-ZnO, with an intrinsic type-II band alignment and a direct bandgap of 0.89 eV at the Γ point are extensively studied by DFT calculations.

Sulfur vacancies in Co9S8-x/N-doped graphene enhancing electrochemical kinetics to high-performance lithium sulfur batteries

2021 ◽  
Author(s):  
Haojie Li ◽  
Yihua Song ◽  
Kai Xi ◽  
Wei Wang ◽  
Sheng Liu ◽  
...  
Keyword(s):  
Cathode Materials ◽  
High Performance ◽  
Catalytic Conversion ◽  
High Energy ◽  
Electrochemical Kinetics ◽  
Lithium Sulfur Batteries ◽  
Doped Graphene ◽  
Sulfur Battery ◽  
Areal Capacity ◽  
Lithium Sulfur

A sufficient areal capacity is necessary for achieving high-energy lithium sulfur battery, which requires high enough sulfur loading in cathode materials. Therefore, kinetically fast catalytic conversion of polysulfide intermediates is...

scholarly journals N, S and Transition-Metal Co-Doped Graphene Nanocomposites as High-Performance Catalyst for Glucose Oxidation in a Direct Glucose Alkaline Fuel Cell

Nanomaterials ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 202
Author(s):  
Yexin Dai ◽  
Jie Ding ◽  
Jingyu Li ◽  
Yang Li ◽  
Yanping Zong ◽  
...  
Keyword(s):  
Fuel Cell ◽  
Active Sites ◽  
High Performance ◽  
Glucose Oxidation ◽  
Alkaline Fuel Cell ◽  
Blank Group ◽  
Graphene Nanocomposites ◽  
Doped Graphene ◽  
One Step ◽  
Hydrothermal Approach

In this work, reduced graphene oxide (rGO) nanocomposites doped with nitrogen (N), sulfur (S) and transitional metal (Ni, Co, Fe) were synthesized by using a simple one-step in-situ hydrothermal approach. Electrochemical characterization showed that rGO-NS-Ni was the most prominent catalyst for glucose oxidation. The current density of the direct glucose alkaline fuel cell (DGAFC) with rGO-NS-Ni as the anode catalyst reached 148.0 mA/cm2, which was 40.82% higher than the blank group. The DGAFC exhibited a maximum power density of 48 W/m2, which was more than 2.08 folds than that of blank group. The catalyst was further characterized by SEM, XPS and Raman. It was speculated that the boosted performance was due to the synergistic effect of N, S-doped rGO and the metallic redox couples, (Ni2+/Ni3+, Co2+/Co3+ and Fe2+/Fe3+), which created more active sites and accelerated electron transfer. This research can provide insights for the development of environmental benign catalysts and promote the application of the DGAFCs.

scholarly journals Correction to: Interface Engineering of CoS/CoO@N‑Doped Graphene Nanocomposite for High‑Performance Rechargeable Zn–Air Batteries

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Yuhui Tian ◽  
Li Xu ◽  
Meng Li ◽  
Ding Yuan ◽  
Xianhu Liu ◽  
...  
Keyword(s):  
High Performance ◽  
Original Publication ◽  
Interface Engineering ◽  
Doped Graphene ◽  
Graphene Nanocomposite

In the original publication, the label text.

Interface coupling and charge doping in graphene on ferroelectric BiAlO3(0001) polar surfaces

2021 ◽  
Vol 23 (5) ◽  
pp. 3407-3416
Author(s):  
Jin Yuan ◽  
Jian-Qing Dai ◽  
Cheng Ke ◽  
Zi-Cheng Wei
Keyword(s):  
Dft Calculations ◽  
Hybrid System ◽  
First Principles ◽  
Doping Effect ◽  
Coupling Mechanism ◽  
Polarization Reversal ◽  
Interface Coupling ◽  
Polar Surfaces ◽  
Charge Doping

The interface coupling mechanism, charge doping effect, and effect of polarization reversal in the graphene/BiAlO3(0001) hybrid system are explored by first-principles DFT calculations.

Vacancies-engineered MoO3 and Na+-preinserted MnO2 in-situ grown N-doped graphene nanotubes as electrode materials for high-performance asymmetric supercapacitor

2021 ◽  
Author(s):  
Jian Zhao ◽  
He Cheng ◽  
Huanyu Li ◽  
Yan-Jie Wang ◽  
Qingyan Jiang ◽  
...  
Keyword(s):  
High Performance ◽  
Electrode Materials ◽  
High Energy ◽  
Cooperative Effect ◽  
Electrochemical Energy Storage ◽  
Asymmetric Supercapacitor ◽  
Asymmetric Supercapacitors ◽  
Doped Graphene ◽  
Power Densities

Developing advanced negative and positive electrode materials for asymmetric supercapacitors (ASCs) as the electrochemical energy storage can enable the device to reach high energy/power densities resulting from the cooperative effect...

Sign in / Sign up

Export Citation Format

Share Document