Exploring the effect of phosphorus doping on the utility of g-C3N4 as an electrode material in Na-ion batteries using DFT method

DFT Study on Sulfur-Doped g-C3N4 Nanosheets as a Photocatalyst for CO2 Reduction Reaction

(2018) Yuelin Wang et al.   Journal of Physical Chemistry C

Two-dimensional layered compound based anode materials for lithium-ion batteries and sodium-ion batteries

(2017) Xiuqiang Xie et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Effect of phosphorus doping on electronic structure and photocatalytic performance of g-C 3 N 4 : Insights from hybrid density functional calculation

(2016) Jianjun Liu   JOURNAL OF ALLOYS AND COMPOUNDS

Exploring the sodium storage mechanism in disodium terephthalate as anode for organic battery using density-functional theory calculations

(2016) Mahasin Alam Sk et al.   JOURNAL OF POWER SOURCES

Engineering the electronic structure and optical properties of g-C3N4 by non-metal ion doping

(2016) Qianyi Guo et al.   Journal of Materials Chemistry C

Structures and energetics of lithium adatom and its dimer on graphene–a DFT study

(2015) Gagandeep Kaur et al.   APPLIED SURFACE SCIENCE

A computational study of Na behavior on graphene

(2015) Oleksandr I. Malyi et al.   APPLIED SURFACE SCIENCE

Lithium and Sodium Storage on Graphitic Carbon Nitride

(2015) Marlies Hankel et al.   Journal of Physical Chemistry C

Extended π-Conjugated System for Fast-Charge and -Discharge Sodium-Ion Batteries

(2015) Chengliang Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lithium and sodium storage on tetracyanoethylene (TCNE) and TCNE-(doped)-graphene complexes: A computational study

(2015) Yingqian Chen et al.   MATERIALS CHEMISTRY AND PHYSICS

First-Principles Investigation of Adsorption and Diffusion of Ions on Pristine, Defective and B-doped Graphene

(2015) Wei Wan et al.   Materials

Sulfur covalently bonded graphene with large capacity and high rate for high-performance sodium-ion batteries anodes

(2015) Xiaolei Wang et al.   Nano Energy

Adsorption of Na on intrinsic, B-doped, N-doped and vacancy graphenes: A first-principles study

(2014) Li-Hua Yao et al.   COMPUTATIONAL MATERIALS SCIENCE

Poly(diphenylaminesulfonic acid sodium) as a cation-exchanging organic cathode for sodium batteries

(2014) Y.F. Shen et al.   ELECTROCHEMISTRY COMMUNICATIONS

Organic radical functionalized graphene as a superior anode material for lithium-ion batteries

(2014) Zhuzhu Du et al.   Journal of Materials Chemistry A

Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties

(2013) M. Saiful Islam et al.   CHEMICAL SOCIETY REVIEWS

Towards sustainable and versatile energy storage devices: an overview of organic electrode materials

(2013) Zhiping Song et al.   Energy & Environmental Science

Nitrogen-doped graphene nanosheets as anode materials for lithium ion batteries: a first-principles study

(2012) Congcong Ma et al.   JOURNAL OF MATERIALS CHEMISTRY

Porous Electrode Materials for Lithium-Ion Batteries - How to Prepare Them and What Makes Them Special

(2012) Anh Vu et al.   Advanced Energy Materials

Disodium Terephthalate (Na2C8H4O4) as High Performance Anode Material for Low-Cost Room-Temperature Sodium-Ion Battery

(2012) Liang Zhao et al.   Advanced Energy Materials

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER