A new bifunctional C3N nanosheet of NO2, SO2 gas sensor and CO2 separation: A first-principles study

PC6 monolayer: A potential candidate as NOx sensor with high sensitivity and selectivity

(2020) Xuefang Yu et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

The characteristics of defective ZrS2 monolayers adsorbed various gases on S-vacancies: A first-principles study

(2020) Hong T.T. Nguyen et al.   SUPERLATTICES AND MICROSTRUCTURES

Fe, Ru, and Os‒embedded graphitic carbon nitride as a promising candidate for NO gas sensor: A first-principles investigation

(2019) Hadi Basharnavaz et al.   MATERIALS CHEMISTRY AND PHYSICS

Adsorption of NO and NO2 molecules on defected-graphene and ozone-treated graphene: First-principles analysis

(2019) Muhammad Ali et al.   SURFACE SCIENCE

C2N monolayer as NH3 and NO sensors: A DFT study

(2019) Yongliang Yong et al.   APPLIED SURFACE SCIENCE

Adsorption mechanism of hydrogen sulfide and sulfur dioxide on Au-MoS2 monolayer

(2019) Yingang Gui et al.   SUPERLATTICES AND MICROSTRUCTURES

Boron-Decorated Graphitic Carbon Nitride (g-C3N4): An Efficient Sensor for H2S, SO2, and NH3 Capture

(2019) Omar Faye et al.   Journal of Physical Chemistry C

Computational study on catalytic performance of BC3 and NC3 nanosheets as cathode electrocatalysts for nonaqueous Li–O2 batteries

(2019) Fangfang Zheng et al.   JOURNAL OF POWER SOURCES

A first-principles insight into Pd-doped MoSe2 monolayer: A toxic gas scavenger

(2019) Shouxiao Ma et al.   PHYSICS LETTERS A

First-principles investigation of vacancy-defected graphene and Mn-doped graphene towards adsorption of H2S

(2019) Xiaotong Jia et al.   SUPERLATTICES AND MICROSTRUCTURES

Adsorption of gas molecules on a C3N monolayer and the implications for NO2 sensors

(2019) Zijia Zhao et al.   AIP Advances

Insight into the oxidation mechanism of the intermetallic compound NbAl3: A first-principles study

(2019) Huihui Xiong et al.   APPLIED SURFACE SCIENCE

Adsorption performance of SO2 gases over the transition metal/P‒codoped graphitic carbon nitride: A DFT investigation

(2019) Hadi Basharnavaz et al.   MATERIALS CHEMISTRY AND PHYSICS

Tuning electronic structure and optical properties of C3N by B doping

(2019) Qiqi Li et al.   PHYSICA B-CONDENSED MATTER

Co-modulation of graphene by N hetero-doping &vacancy defects and the effect on NO2 adsorption and sensing: First-principles study

(2019) Yuxiang Qin et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Two-dimensional carbon nitride (C3N) nanosheets as promising materials for H2S and NH3 elimination: A computational approach

(2019) Omar Faye et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

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

(2019) Hadi Basharnavaz et al.   PHYSICS LETTERS A

Effects of gas adsorption on electronic and optical properties of palladium-doped graphene: First-principles study

(2019) Jian-Ning Zhang et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Charge-modulated CO 2 capture of C 3 N nanosheet: Insights from DFT calculations

(2018) Xiaofang Li et al.   CHEMICAL ENGINEERING JOURNAL

Superior Selectivity and Sensitivity of C3N Sensor in Probing Toxic Gases NO2 and SO2

(2018) Heping Cui et al.   IEEE ELECTRON DEVICE LETTERS

Graphene-like Carbon–Nitride Monolayer: A Potential Anode Material for Na- and K-Ion Batteries

(2018) Preeti Bhauriyal et al.   Journal of Physical Chemistry C

Monolayer GeS as a potential candidate for NO2 gas sensors and capturers

(2018) Shuhong Ma et al.   Journal of Materials Chemistry C

Charge controlled switchable CO 2 /N 2 separation for g-C 10 N 9 membrane: Insights from molecular dynamics simulations

(2018) Xiao Chang et al.   Journal of CO2 Utilization

First-Principles Study of Electrocatalytically Reversible CO2 Capture on Graphene-like C3 N

(2018) Gangqiang Qin et al.   CHEMPHYSCHEM

Adsorption of CO2, O2, NO and CO on s-triazine-based g-C3N4 surface

(2018) Bicheng Zhu et al.   CATALYSIS TODAY

A MnN4 moiety embedded graphene as a magnetic gas sensor for CO detection: A first principle study

(2018) Sarawoot Impeng et al.   APPLIED SURFACE SCIENCE

Monolayer Sc2CO2: A Promising Candidate as a SO2 Gas Sensor or Capturer

(2017) Shuhong Ma et al.   Journal of Physical Chemistry C

First-principles study of structural, elastic and electronic properties of α-, β- and γ-graphyne

(2016) Antonio Ruiz Puigdollers et al.   CARBON

Rise of silicene: A competitive 2D material

(2016) Jijun Zhao et al.   PROGRESS IN MATERIALS SCIENCE

C2N: an excellent two-dimensional monolayer membrane for He separation

(2015) Lei Zhu et al.   Journal of Materials Chemistry A

Charge-Controlled Switchable CO2 Capture on Boron Nitride Nanomaterials

(2013) Qiao Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Generalized molecular orbital tomography

(2011) C. Vozzi et al.   Nature Physics

The nitrate–nitrite–nitric oxide pathway in physiology and therapeutics

(2008) Jon O. Lundberg et al.   NATURE REVIEWS DRUG DISCOVERY