Effect of transition metal (Cu and Pt) doping/ co-doping on hydrogen gas sensing capability of graphene: A DFT study

Pulsed laser deposition of Pt-WO3 of hydrogen sensors under atmospheric conditions

(2020) Yoshiaki Nishijima et al.   APPLIED SURFACE SCIENCE

Density functional theory calculations of NO2 and H2S adsorption on the group 10 transition metal (Ni, Pd and Pt) decorated graphene

(2019) Zheng Bo et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Enhanced hydrogen gas sensing properties of Pd-doped SnO2 nanofibres by Ar plasma treatment

(2019) Kelin Hu et al.   CERAMICS INTERNATIONAL

Structural and electronic properties of CO and NO gas molecules on Pd-doped vacancy graphene: A first principles study

(2019) M.S.M. Shukri et al.   APPLIED SURFACE SCIENCE

Effect of boron substitution on hydrogen storage in Ca/DCV graphene: A first-principle study

(2019) Esra Eroglu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen adsorption on pristine and platinum decorated graphene quantum dot: A first principle study

(2019) Vaishali Sharma et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Sensing and absorbing of sulfur mustard using Pt-decorated graphene from first-principles calculations

(2019) Xiaoying Hu et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

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

(2019) Xiaotong Jia et al.   SUPERLATTICES AND MICROSTRUCTURES

Highly sensitive hydrogen gas sensor based on a MoS2-Pt nanoparticle composite

(2019) Sandeep Reddy Gottam et al.   APPLIED SURFACE SCIENCE

Reconnoitring the nature of interaction and effect of electric field on Pd/Pt/Ni decorated 5-8-5/55–77 defected graphene sheet for hydrogen storage

(2019) R. Akilan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A systematic study of the stability, electronic and optical properties of beryllium and nitrogen co-doped graphene

(2018) O. Olaniyan et al.   CARBON

Co-doped graphene sheets as a novel adsorbent for hydrogen storage: DFT and DFT-D3 correction dispersion study

(2018) Fatemeh Bakhshi et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Enhanced gas-sensing performance of graphene by doping transition metal atoms: A first-principles study

(2018) Dongxiang Zhao et al.   PHYSICS LETTERS A

DFT study on the electronic structure and optical properties of N, Al, and N-Al doped graphene

(2018) Xi Zhou et al.   APPLIED SURFACE SCIENCE

Static refractive index engineering of a singlewalled carbon nanotube through co-doping: A theoretical study

(2017) Deepa Sharma et al.   OPTIK

Co-doping as a tool for tuning the optical properties of singlewalled carbon nanotubes: A first principles study

(2017) Deepa Sharma et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Hydrogen adsorption on graphene sheets doped with group 8B transition metal: A DFT investigation

(2017) Chanukorn Tabtimsai et al.   VACUUM

On the interaction of toxic Heavy Metals (Cd, Hg, Pb) with graphene quantum dots and infinite graphene

(2017) Ivan Shtepliuk et al.   Scientific Reports

Chemisorption of NO on Pt-decorated graphene as modified nanostructure media: A first principles study

(2016) Ali Shokuhi Rad et al.   APPLIED SURFACE SCIENCE

Doping composite of polyaniline and reduced graphene oxide with palladium nanoparticles for room-temperature hydrogen-gas sensing

(2016) Yongjin Zou et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A Comparative Density Functional Study of Hydrogen Peroxide Adsorption and Activation on the Graphene Surface Doped with N, B, S, Pd, Pt, Au, Ag, and Cu Atoms

(2016) Derya Düzenli   Journal of Physical Chemistry C

Study on the adsorption properties of O 3 , SO 2 , and SO 3 on B-doped graphene using DFT calculations

(2016) Ali Shokuhi Rad et al.   JOURNAL OF SOLID STATE CHEMISTRY

Application of carbon nanostructures toward SO2and SO3adsorption: a comparison between pristine graphene and N-doped graphene by DFT calculations

(2016) Ali Shokuhi Rad et al.   Journal of Sulfur Chemistry

First principles study of Al-doped graphene as nanostructure adsorbent for NO 2 and N 2 O: DFT calculations

(2015) Ali Shokuhi Rad   APPLIED SURFACE SCIENCE

Platinum and platinum–iron alloy nanoparticles dispersed nitrogen-doped graphene as high performance room temperature hydrogen sensor

(2015) Raghu Sripada et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Theoretical insight into hydrogen adsorption onto graphene: a first-principles B3LYP-D3 study

(2015) M. Darvish Ganji et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Catalytic hydrogen sensing using microheated platinum nanoparticle-loaded graphene aerogel

(2015) Anna Harley-Trochimczyk et al.   SENSORS AND ACTUATORS B-CHEMICAL

Recent advances in graphene based gas sensors

(2015) Seba S. Varghese et al.   SENSORS AND ACTUATORS B-CHEMICAL

Cu- and CuO-decorated graphene as a nanosensor for H2S detection at room temperature

(2015) E. Mohammadi-Manesh et al.   SURFACE SCIENCE

Graphite oxide/functionalized graphene oxide and polybenzimidazole composite membranes for high temperature proton exchange membrane fuel cells

(2014) Chao Xue et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Electronic properties of graphene nano-flakes: Energy gap, permanent dipole, termination effect, and Raman spectroscopy

(2014) Sandeep Kumar Singh et al.   JOURNAL OF CHEMICAL PHYSICS

Computational Study on the Interaction of Modified Nucleobases with Graphene and Doped Graphenes

(2014) S. K. Mudedla et al.   Journal of Physical Chemistry C

Adsorption of formaldehyde molecule on Stone–Wales defected graphene doped with Cr, Mn, and Co: A theoretical study

(2013) Qingxiao Zhou et al.   COMPUTATIONAL MATERIALS SCIENCE

DFT study of hydrogen adsorption on Eu-decorated single- and double-sided graphene

(2013) Wenbo Liu et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Functionalized multiwalled carbon nanotubes based hydrogen gas sensor

(2013) Shivani Dhall et al.   SENSORS AND ACTUATORS A-PHYSICAL

Bandgap Opening by Patterning Graphene

(2013) Marc Dvorak et al.   Scientific Reports

Response of Si- and Al-doped graphenes toward HCN: A computational study

(2012) Somayeh F. Rastegar et al.   APPLIED SURFACE SCIENCE

Adsorption and dissociation of molecular hydrogen on the edges of graphene nanoribbons

(2012) Cecilia Bores et al.   JOURNAL OF NANOPARTICLE RESEARCH

Electrochemical bisphenol A sensor based on N-doped graphene sheets

(2011) Haixia Fan et al.   ANALYTICA CHIMICA ACTA

Chemical Sensitivity of Graphene Edges Decorated with Metal Nanoparticles

(2011) Harindra Vedala et al.   NANO LETTERS

Divacancy-nitrogen-assisted transition metal dispersion and hydrogen adsorption in defective graphene: A first-principles study

(2010) Woon Ih Choi et al.   PHYSICAL REVIEW B

Enhancement of adsorption on a boron-doped carbon system for hydrogen storage

(2010) Hoonkyung Lee   SOLID STATE COMMUNICATIONS

Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study

(2009) Yong-Hui Zhang et al.   NANOTECHNOLOGY

Copper doped SnO2 nanowires as highly sensitive H2S gas sensor

(2009) Vivek Kumar et al.   SENSORS AND ACTUATORS B-CHEMICAL

A first-principles study of nitrogen- and boron-assisted platinum adsorption on carbon nanotubes

(2008) Yu-Hung Li et al.   CARBON

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY