Platinum-silicon doped graphitic carbon nitride: A first principle calculation

Physica B Condensed Matter ◽

10.1016/j.physb.2021.413547 ◽

2021 ◽

pp. 413547

Author(s):

Deepak Kumar Gorai ◽

Tarun Kumar Kundu

Keyword(s):

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation ◽

Download Full-text

Dual-Silicon-Doped Graphitic Carbon Nitride Sheet: An Efficient Metal-Free Electrocatalyst for Urea Synthesis

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.1c03242 ◽

2021 ◽

pp. 10837-10844

Author(s):

Prodyut Roy ◽

Anup Pramanik ◽

Pranab Sarkar

Keyword(s):

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

Urea Synthesis ◽

Download Full-text

Tunable electronic properties of porous graphitic carbon nitride (C6N7) monolayer by atomic doping and embedding: A first-principle study

Applied Surface Science ◽

10.1016/j.apsusc.2021.152270 ◽

2022 ◽

pp. 152270

Author(s):

A. Bafekry ◽

M. Faraji ◽

N.N. Hieu ◽

A. Bagheri Khatibani ◽

Mohamed M. Fadlallah ◽

...

Keyword(s):

Electronic Properties ◽

Carbon Nitride ◽

Porous Graphitic Carbon ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principle

Download Full-text

Novel Graphitic Carbon Nitride g-C9N10 as Promising Platform to Design Efficient Photocatalyst for Dinitrogen Reduction to Ammonia: The First Principle Investigation

Journal of Materials Chemistry A ◽

10.1039/d1ta04614d ◽

2021 ◽

Author(s):

Lixue Xia ◽

Huan Wang ◽

Yan Zhao

Keyword(s):

Solar Energy ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principle ◽

Polymeric Semiconductor ◽

Dinitrogen Reduction

Photocatalyst plays a vital role in harnessing and converting solar energy into storable and valuable chemical fuels. As a polymeric semiconductor, graphitic carbon nitride g-C3N4 has been regarded as next...

Download Full-text

First principle modeling of oxygen-doped monolayer graphitic carbon nitride

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2015.05.036 ◽

2015 ◽

Vol 161 ◽

pp. 194-200 ◽

Author(s):

Jie Cui ◽

Shuhua Liang ◽

Xianhui Wang ◽

Jianmin Zhang

Keyword(s):

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principle

Download Full-text

Effect of boron and phosphorus codoping on the electronic and optical properties of graphitic carbon nitride monolayers: First-principle simulations

Physical Review B ◽

10.1103/physrevb.97.195428 ◽

2018 ◽

Vol 97 (19) ◽

Author(s):

Mahdieh Yousefi ◽

Monireh Faraji ◽

Reza Asgari ◽

Alireza Z. Moshfegh

Keyword(s):

Optical Properties ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principle ◽

Electronic And Optical Properties

Download Full-text

A first-principle investigation of NO2 adsorption behavior on Co, Rh, and Ir-embedded graphitic carbon nitride: Looking for highly sensitive gas sensor

Physics Letters A ◽

10.1016/j.physleta.2019.126057 ◽

2020 ◽

Vol 384 (2) ◽

pp. 126057 ◽

Author(s):

Hadi Basharnavaz ◽

Aziz Habibi-Yangjeh ◽

Seyed Hossein Kamali

Keyword(s):

Carbon Nitride ◽

Graphitic Carbon ◽

Adsorption Behavior ◽

Graphitic Carbon Nitride ◽

First Principle ◽

Highly Sensitive ◽

Download Full-text

A first principle study on the spin transport properties in heterojunctions based on zigzag-edged graphene nanoribbons and graphitic carbon nitride nanoribbons

RSC Advances ◽

10.1039/c5ra09205a ◽

2015 ◽

Vol 5 (86) ◽

pp. 70682-70688 ◽

Author(s):

Xiangru Kong ◽

Dongqing Zou ◽

Hui Wang ◽

Xiaohui Jiang ◽

Sun Yin ◽

...

Keyword(s):

Transport Properties ◽

Electronic Transport ◽

Carbon Nitride ◽

Spin Transport ◽

Graphene Nanoribbons ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principle ◽

Electronic Transport Properties ◽

Non Equilibrium

By using non-equilibrium Green’s functions (NEGF) and DFT, we investigate the spin-dependent electronic transport properties of two heterojunctions based on zigzag-edged graphene nanoribbons and graphitic carbon nitride nanoribbons.

Download Full-text

First principle study of lithium and phosphorus co-doped graphitic carbon nitride as a nonlinear optical material

Materials Today Communications ◽

10.1016/j.mtcomm.2020.101911 ◽

2021 ◽

Vol 26 ◽

pp. 101911

Author(s):

Deepak Kumar Gorai ◽

Tarun Kumar Kundu

Keyword(s):

Nonlinear Optical ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

Optical Material ◽

First Principle ◽

Nonlinear Optical Material ◽

Download Full-text

Mechanism of CO2 conversion into methanol and methane at the edge of graphitic carbon nitride sheet: A first-principle study

Carbon ◽

10.1016/j.carbon.2020.07.006 ◽

2020 ◽

Vol 169 ◽

pp. 73-81 ◽

Author(s):

Hong-Zhang Wu ◽

Sateesh Bandaru ◽

Jin Liu ◽

Li-Li Li ◽

Lin Jin

Keyword(s):

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principle ◽

Co2 Conversion ◽

Co2 Conversion Into Methanol

Download Full-text

First-Principle Study of Lithium Polysulfide Adsorption on Heteroatom Doped Graphitic Carbon Nitride for Lithium-Sulfur Batteries

Applied Surface Science ◽

10.1016/j.apsusc.2021.150378 ◽

2021 ◽

pp. 150378

Author(s):

Nattida Yamsang ◽

Jarinya Sittiwong ◽

Pemikar Srifa ◽

Bundet Boekfa ◽

Montree Sawangphruk ◽

...

Keyword(s):

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principle ◽

Lithium Polysulfide ◽

Lithium Sulfur Batteries ◽

Download Full-text