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

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...

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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 ◽

Cited By ~ 56

Author(s):

Jie Cui ◽

Shuhua Liang ◽

Xianhui Wang ◽

Jianmin Zhang

Keyword(s):

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principle

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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) ◽

Cited By ~ 20

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

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Robust route to highly porous graphitic carbon nitride microtubes with preferred adsorption ability via rational design of one-dimension supramolecular precursors for efficient photocatalytic CO2 conversion

Nano Energy ◽

10.1016/j.nanoen.2020.105104 ◽

2020 ◽

Vol 77 ◽

pp. 105104 ◽

Cited By ~ 2

Author(s):

Qiong Liu ◽

Chengcheng Chen ◽

Kunjie Yuan ◽

Chris D. Sewell ◽

Zhengguo Zhang ◽

...

Keyword(s):

Rational Design ◽

Carbon Nitride ◽

Porous Graphitic Carbon ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

One Dimension ◽

Co2 Conversion ◽

Adsorption Ability ◽

Photocatalytic Co2 Conversion ◽

Highly Porous

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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 ◽

Cited By ~ 10

Author(s):

Hadi Basharnavaz ◽

Aziz Habibi-Yangjeh ◽

Seyed Hossein Kamali

Keyword(s):

Gas Sensor ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Adsorption Behavior ◽

Graphitic Carbon Nitride ◽

First Principle ◽

Highly Sensitive ◽

No2 Adsorption

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Urea-derived graphitic carbon nitride as an efficient heterogeneous catalyst for CO2 conversion into cyclic carbonates

Catalysis Science & Technology ◽

10.1039/c3cy00921a ◽

2014 ◽

Vol 4 (6) ◽

pp. 1556 ◽

Cited By ~ 138

Author(s):

Qian Su ◽

Jian Sun ◽

Jinquan Wang ◽

Zifeng Yang ◽

Weiguo Cheng ◽

...

Keyword(s):

Heterogeneous Catalyst ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

Co2 Conversion ◽

Cyclic Carbonates ◽

Efficient Heterogeneous Catalyst

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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 ◽

Cited By ~ 4

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.

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