相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Functionalized (4,0) or (8,0) SWCNT as novel carriers of the anticancer drug 5-FU; A first-principle investigation
N. Ershadi et al.
APPLIED SURFACE SCIENCE (2021)
A novel high-performance methane sensor based on Ti-Decorated 2D γ-graphyne: A dispersion-corrected DFT insight
Samira Nikmanesh et al.
MATERIALS CHEMISTRY AND PHYSICS (2021)
Magnetic bipolarity and other electronic aspects of (4,4) silicon carbide nanotubes ((4,4)SiCNT) decorated by light noble metals; (Cu, Ag)
M. Khalifeh et al.
APPLIED SURFACE SCIENCE (2021)
Reevaluation of the electronic structure and thermoelectric properties of narrow-gap semiconducting α-SrSi2: A complementary experimental and first-principles hybrid-functional approach
Daishi Shiojiri et al.
JOURNAL OF APPLIED PHYSICS (2021)
A DFT screening of magnetic sensing-based adsorption of NO by M-MOF-74 (M= Mg, Ti, Fe and Zn)
Yavar T. Azar et al.
MATERIALS CHEMISTRY AND PHYSICS (2020)
Computational modelling of an amide functionalized single-walled carbon nanotube based H2S gas sensor
Sheida Bagherzadeh-Nobari et al.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2020)
Adsorption and sensing behaviors of SF6 decomposed species on Ni-doped C3N monolayer: A first-principles study
Hao Cui et al.
APPLIED SURFACE SCIENCE (2020)
Adsorption of SO2 and NO2 molecule on intrinsic and Pd-doped HfSe2 monolayer: A first-principles study
Hao Cui et al.
APPLIED SURFACE SCIENCE (2020)
DFT analysis of H2S adsorbed zigzag and armchair graphene nanoribbons
Harshika Suman et al.
CHEMICAL PHYSICS LETTERS (2020)
Performance of Intrinsic and Modified Graphene for the Adsorption of H2S and CH4: A DFT Study
Xin Gao et al.
NANOMATERIALS (2020)
Metal-Organic frameworks-derived bamboo-like CuO/In2O3 Heterostructure for high-performance H2S gas sensor with Low operating temperature
Sihan Li et al.
SENSORS AND ACTUATORS B-CHEMICAL (2020)
Functional gas sensing nanomaterials: A panoramic view
Ritu Malik et al.
APPLIED PHYSICS REVIEWS (2020)
Synthesis and density functional theory study of free-standing Fe-doped TiO 2 nanotube array film for H 2 S gas sensing properties at low temperature
Xin Tong et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2020)
Adsorption and sensing of CO and C2H2 by S-defected SnS2 monolayer for DGA in transformer oil: A DFT study
Hao Cui et al.
MATERIALS CHEMISTRY AND PHYSICS (2020)
Au@ZnO functionalized three-dimensional macroporous WO3: A application of selective H2S gas sensor for exhaled breath biomarker detection
Shuo Yang et al.
SENSORS AND ACTUATORS B-CHEMICAL (2020)
DFT investigation of H2S adsorption on graphenenanosheets and nanoribbons: Comparative study
Ehab Salih et al.
SUPERLATTICES AND MICROSTRUCTURES (2020)
Graphene Decorated with Silver Nanoparticles as a Low Temperature Methane Gas Sensor
Rezvan Ghanbari et al.
ACS APPLIED MATERIALS & INTERFACES (2019)
A MnN4 moiety embedded graphene as a magnetic gas sensor for CO detection: A first principle study
Sarawoot Impeng et al.
APPLIED SURFACE SCIENCE (2019)
Density functional theory calculations of NO2 and H2S adsorption on the group 10 transition metal (Ni, Pd and Pt) decorated graphene
Zheng Bo et al.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2019)
Hydrogen sulfide interaction with pristine, defected and M-decorated black phosphorous (M = B, Co, V, Ti, Ni & Cu): A DFT study
Mehdi Bagherizadeh et al.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2019)
In-situ copper impregnation by chemical activation with CuCl2 and its application to SO2 and H2S capture by activated carbons
Yasmine Boutillara et al.
CHEMICAL ENGINEERING JOURNAL (2019)
DFT analysis of pristine and functionalized zigzag CNT: A case of H2S sensing
Reena Srivastava et al.
CHEMICAL PHYSICS LETTERS (2019)
First-principles investigation of vacancy-defected graphene and Mn-doped graphene towards adsorption of H2S
Xiaotong Jia et al.
SUPERLATTICES AND MICROSTRUCTURES (2019)
Unprecedented Reversible Real-Time Luminescent Sensing of H2S in the Gas Phase
Idoia Urriza-Arsuaga et al.
ANALYTICAL CHEMISTRY (2019)
Electronic properties of silicon carbide nanotube with Stone Wales defects under uniaxial pressure: A computational study
Jamal A. Talla
COMPUTATIONAL CONDENSED MATTER (2019)
Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor
Shampa Kundu et al.
NEW JOURNAL OF CHEMISTRY (2019)
Rh-doped MoSe2 as a toxic gas scavenger: a first-principles study
Hao Cui et al.
NANOSCALE ADVANCES (2019)
Electronic structure and H2S adsorption property of Pt3 cluster decorated (8,0) SWCNT
Xiaoxing Zhang et al.
APPLIED SURFACE SCIENCE (2018)
Adsorption modes of molecular iodine on defected boron nitrides: A DFT study
Masoud Arabieh et al.
APPLIED SURFACE SCIENCE (2018)
A dispersion-corrected DFT investigation of CH4 adsorption by silver-decorated monolayer graphene in the presence of ambient oxygen molecules
R. Ghanbari et al.
APPLIED SURFACE SCIENCE (2018)
Evaluation of H2S sensing characteristics of metals doped graphene and metals-decorated graphene: Insights from DFT study
Zahra Khodadadi
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2018)
Recent advances in carbon material-based NO2 gas sensors
Sang Won Lee et al.
SENSORS AND ACTUATORS B-CHEMICAL (2018)
YSZ-based mixed potential H2S sensor using La2NiO4 sensing electrode
Xidong Hao et al.
SENSORS AND ACTUATORS B-CHEMICAL (2018)
Remarkably enhanced hydrogen sensing of highly-ordered SnO2-decorated TiO2 nanotubes
Haitao Xun et al.
SENSORS AND ACTUATORS B-CHEMICAL (2018)
Individual Gas Molecules Detection Using Zinc Oxide-Graphene Hybrid Nanosensor: A DFT Study
Ingrid Torres et al.
C-JOURNAL OF CARBON RESEARCH (2018)
Design of a Smartphone Plastic Optical Fiber Chemical Sensor for Hydrogen Sulfide Detection
Alimzhan Sultangazin et al.
IEEE SENSORS JOURNAL (2017)
Influence of Pd/Pd2 decoration on the structural, electronic and sensing properties of monolayer graphene in the presence of methane molecule: A dispersion-corrected DFf study
Sh. Nasresfahani et al.
SURFACE SCIENCE (2017)
Healing of a carbon-vacancy defect in silicon carbide nanotubes by CO molecules: A DFT study
Mehdi D. Esrafili et al.
CHEMICAL PHYSICS LETTERS (2017)
Nanostructured Materials for Room-Temperature Gas Sensors
Jun Zhang et al.
ADVANCED MATERIALS (2016)
Bis(dithioline)-Based Metal-Organic Frameworks with Superior Electronic and Magnetic Properties: Spin Frustration to Spintronics and Gas Sensing
Chandrima Chakravarty et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Inconsistencies in the Electronic Properties of Phosphorene Nanotubes: New Insights from Large-Scale DFT Calculations
Sarah I. Allec et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Tuning the electronic properties of single-walled SiC nanotubes by external electric field
Wenwu Shi et al.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2016)
A DFT study on the N2O reduction by CO molecule over silicon carbide nanotubes and nanosheets
Parisa Nematollahi et al.
RSC ADVANCES (2016)
Quasi-Two-Dimensional SiC and SiC2: Interaction of Silicon and Carbon at Atomic Thin Lattice Plane
Shisheng Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
A magnonic gas sensor based on magnetic nanoparticles
D. Matatagui et al.
NANOSCALE (2015)
Cu- and CuO-decorated graphene as a nanosensor for H2S detection at room temperature
E. Mohammadi-Manesh et al.
SURFACE SCIENCE (2015)
First-Principles Calculations on Electronic Properties of Single-Walled Carbon Nanotubes for H2S Gas Sensor
Dewi Muliyati et al.
5TH INTERNATIONAL CONFERENCE ON MATHEMATICS AND NATURAL SCIENCES (ICMNS 2014) (2015)
Electronic and Magnetic Properties of Yttrium-doped Silicon Carbide Nanotubes: Density Functional Theory Investigations
Jobanpreet S. Khaira et al.
PROCEEDINGS OF THE 59TH DAE SOLID STATE PHYSICS SYMPOSIUM 2014 (SOLID STATE PHYSICS) (2015)
Adsorption of H2S on carbonaceous materials of different dimensionality
Elham Ashori et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2014)
A DFT study of SO2 and H2S gas adsorption on Au-doped single-walled carbon nanotubes
Xiaoxing Zhang et al.
PHYSICA SCRIPTA (2014)
The structural, mechanical and electronic properties of (4,4) SiC/C nanotube heterojunction: A first-principles study
B. Xu et al.
COMPUTATIONAL MATERIALS SCIENCE (2013)
Investigation of interaction hydrogen sulfide with (5,0) and (5,5) single-wall carbon nanotubes by density functional theory method
Mohsen Oftadeh et al.
INTERNATIONAL NANO LETTERS (2013)
The Effects of Transverse Electric Fields on the Electronic Properties of SiC Nanostructures
G. Alfieri et al.
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE (2012)
Light-Emitting Two-Dimensional Ultrathin Silicon Carbide
S. S. Lin
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Ferromagnetism Induced by Intrinsic Defects and Boron Substitution in Single-Wall SiC Nanotubes
Yongjia Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Hybrid density functional study of armchair SiC nanotubes
Kazi M. Alam et al.
PHYSICAL REVIEW B (2008)
First-principles study: size-dependent optical properties for semiconducting silicon carbide nanotubes
S.-P. Huang et al.
OPTICS EXPRESS (2007)
Structural, elastic, and electronic properties of SiC, BN, and BeO nanotubes
Bjoern Baumeier et al.
PHYSICAL REVIEW B (2007)
Optical properties of SiC nanotubes:: An ab initio study
I. J. Wu et al.
PHYSICAL REVIEW B (2007)
Gas sensors based on nanostructured materials
Giselle Jimenez-Cadena et al.
ANALYST (2007)
Individualities and average behavior in the physical properties of small diameter single-walled carbon nanotubes
J Kurti et al.
CARBON (2004)
Analytical relation of band gaps to both chirality and diameter of single-wall carbon nanotubes
JW Ding et al.
PHYSICAL REVIEW B (2002)
The first preparation of silicon carbide nanotubes by shape memory synthesis and their catalytic potential
C Pham-Huu et al.
JOURNAL OF CATALYSIS (2001)
分享论文
