4.7 Article

Density functional theory study of Pd, Pt, and Au modified GeSe for adsorption and sensing of dissolved gases in transformer oil

Related references

Note: Only part of the references are listed.
Article Chemistry, Analytical

Identification of gas mixtures via sensor array combining with neural networks

Jifeng Chu et al.

Summary: In this study, a sensor array was used to detect various gas mixtures, with techniques such as convolutional neural networks being effective in improving identification accuracy, and the impact of humidity on the sensor array was successfully addressed.

SENSORS AND ACTUATORS B-CHEMICAL (2021)

Article Chemistry, Physical

Exploring the structural and transport properties of glyceline DES-Based boron nitride nanotube Nanofluid: The effects of nanotube diameter

Parisa Jahanbakhsh-Bonab et al.

Summary: The study uses MD simulations to analyze the structural and dynamical properties of DES-based BNNT nanofluids, revealing that the diameter of the BNNT and interactions play a crucial role in influencing the physicochemical parameters of the system. The addition of BNNT increases viscosity and reduces the diffusion coefficient of DES species, while increasing the diameter of BNNT leads to higher viscosity and lower diffusion coefficient of glycerol. These findings are rationalized through assessment of interaction energy and hydrogen bonds, providing molecular insights into the behavior of DES species within and outside BNNTs.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Article Biochemical Research Methods

propionic acid deep eutectic solvents: Investigation of structural and dynamics properties

Parisa Jahanbakhsh Bonab et al.

Summary: In this study, molecular dynamics simulations were used to investigate the composition and unique properties of the eutectic point of phenyl propionic acid and choline chloride mixtures. The results showed that each chloride anion is surrounded by two Phpr molecules at the deep eutectic point state, and the changes in viscosity were consistent with experimental data.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2021)

Article Chemistry, Physical

Are choline chloride-based deep eutectic solvents better than methyl diethanolamine solvents for natural gas Sweetening? theoretical insights from molecular dynamics simulations

Parisa Jahanbakhsh-Bonab et al.

Summary: Molecular dynamics simulations were conducted to explore the performance of three deep eutectic solvents (DESs) in separating acid gases from natural gas, with the Nano-DES system showing the best performance. Solubility selectivity and diffusion selectivity were compared with the MDEA system, with the DES-MDEA system demonstrating excellent diffusion selectivity.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Article Chemistry, Physical

A DFT study of dissolved gas (C2H2, H2, CH4) detection in oil on CuO-modified BNNT

Xin He et al.

APPLIED SURFACE SCIENCE (2020)

Article Materials Science, Multidisciplinary

Single ultrathin WO3 nanowire as a superior gas sensor for SO2 and H2S:Selective adsorption and distinct I-V response

Aijun Yang et al.

MATERIALS CHEMISTRY AND PHYSICS (2020)

Article Nanoscience & Nanotechnology

Adsorption of C2H2, CH4 and CO on Mn-doped graphene: Atomic, electronic, and gas-sensing properties

Yingang Gui et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2020)

Article Chemistry, Physical

Adsorption and gas -sensing properties of Pt 2?GaNNTs for SF 6 decomposition products

Wenhai Cao et al.

APPLIED SURFACE SCIENCE (2020)

Article Nanoscience & Nanotechnology

Gas Sensing of Monolayer GeSe: A First-Principles Study

Qinqin Zhuang et al.

Article Chemistry, Physical

Gas sensing performances and mechanism at atomic level of Au-MoS2 microspheres

Jingxuan Wang et al.

APPLIED SURFACE SCIENCE (2019)

Article Engineering, Electrical & Electronic

Detecting Decompositions of Sulfur Hexafluoride Using MoS2 Monolayer as Gas Sensor

Dachang Chen et al.

IEEE SENSORS JOURNAL (2019)

Article Chemistry, Physical

High Selective Gas Detection for small molecules based on Germanium selenide monolayer

Lian Liu et al.

APPLIED SURFACE SCIENCE (2018)

Article Chemistry, Multidisciplinary

Band Structure and Photoelectric Characterization of GeSe Monolayers

Hongquan Zhao et al.

ADVANCED FUNCTIONAL MATERIALS (2018)

Article Chemistry, Physical

First-principles study of SF6 decomposed gas adsorbed on Au-decorated graphene

Xiaoxing Zhang et al.

APPLIED SURFACE SCIENCE (2016)

Article Physics, Multidisciplinary

Structural, electronic properties, and quantum capacitance of B, N and P-doped armchair carbon nanotubes

S. Morteza Mousavi-Khoshdel et al.

PHYSICS LETTERS A (2016)

Article Materials Science, Multidisciplinary

Effects of oxygen contamination on monolayer GeSe: A computational study

I. S. S. de Oliveira et al.

PHYSICAL REVIEW B (2016)

Article Physics, Applied

GeSe monolayer semiconductor with tunable direct band gap and small carrier effective mass

Yonghong Hu et al.

APPLIED PHYSICS LETTERS (2015)

Article Chemistry, Physical

A first-principles study on gas sensing properties of graphene and Pd-doped graphene

Ling Ma et al.

APPLIED SURFACE SCIENCE (2015)

Article Chemistry, Multidisciplinary

Anisotropic Spin Transport and Strong Visible-Light Absorbance in Few-Layer SnSe and GeSe

Guangsha Shi et al.

NANO LETTERS (2015)

Article Materials Science, Multidisciplinary

Phosphorene analogues: Isoelectronic two-dimensional group-IV monochalcogenides with orthorhombic structure

Lidia C. Gomes et al.

PHYSICAL REVIEW B (2015)

Article Chemistry, Multidisciplinary

Experimental Sensing and Density Functional Theory Study of H2S and SOF2 Adsorption on Au-Modified Graphene

Xiaoxing Zhang et al.

ADVANCED SCIENCE (2015)

Article Materials Science, Multidisciplinary

Structural and electronic properties of atomically thin germanium selenide polymorphs

Shengli Zhang et al.

SCIENCE CHINA-MATERIALS (2015)

Article Physics, Applied

Computational prediction of two-dimensional group-IV mono-chalcogenides

Arunima K. Singh et al.

APPLIED PHYSICS LETTERS (2014)

Article Chemistry, Multidisciplinary

The Rise of Elemental Two-Dimensional Materials Beyond Graphene

Guy Le Lay et al.

AUSTRALIAN JOURNAL OF CHEMISTRY (2014)

Review Nanoscience & Nanotechnology

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

Qing Hua Wang et al.

NATURE NANOTECHNOLOGY (2012)

Article Chemistry, Multidisciplinary

Integrated Circuits and Logic Operations Based on Single-Layer MoS2

Branimir Radisavljevic et al.

ACS NANO (2011)

Article Chemistry, Multidisciplinary

Mica, a Potential Two-Dimensional-Crystal Gate Insulator for Organic Field-Effect Transistors

Yudong He et al.

ADVANCED MATERIALS (2011)

Article Nanoscience & Nanotechnology

Interaction of NH3 with aluminum nitride nanotube: Electrostatic vs. covalent

Ali Ahmadi et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2011)

Article Chemistry, Physical

Atomic carbon adsorption on Ni nanoclusters: a DFT study

Qiang Wang et al.

THEORETICAL CHEMISTRY ACCOUNTS (2011)

Article Chemistry, Physical

Compton profiles and band structure calculations of IV-VI layered compounds GeS and GeSe

A. Rathor et al.

RADIATION PHYSICS AND CHEMISTRY (2008)

Article Chemistry, Physical

The rise of graphene

A. K. Geim et al.

NATURE MATERIALS (2007)

Article Chemistry, Physical

Theoretical analysis of geometry-correlated conductivity of molecular wire

X Yin et al.

CHEMICAL PHYSICS LETTERS (2006)

Article Engineering, Electrical & Electronic

A hybrid tool for detection of incipient faults in transformers based on the dissolved gas analysis of insulating oil

DR Morais et al.

IEEE TRANSACTIONS ON POWER DELIVERY (2006)

Article Multidisciplinary Sciences

Two-dimensional gas of massless Dirac fermions in graphene

KS Novoselov et al.

NATURE (2005)

Article Energy & Fuels

Developments in ring main unit design for improved MV network performance

RP Leeuwerke et al.

POWER ENGINEERING JOURNAL (2000)