Cargando…

Single-atoms (N, P, S) encapsulation of Ni-doped graphene/PEDOT hybrid materials as sensors for H(2)S gas applications: intuition from computational study

This comprehensive study was dedicated to augmenting the sensing capabilities of Ni@GP_PEDOT@H(2)S through the strategic functionalization with nitrogen, phosphorus, and sulfur heteroatoms. Governed by density functional theory (DFT) computations at the gd3bj-B3LYP/def2svp level of theory, the inves...

Descripción completa

Detalles Bibliográficos
Autores principales:	Benjamin, Innocent, Louis, Hitler, Ogungbemiro, Festus O., Agurokpon, Daniel C., Ekpong, Bassey O., Gber, Terkumbur E., Pembere, Anthony M. S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10620405/ https://www.ncbi.nlm.nih.gov/pubmed/37914823 http://dx.doi.org/10.1038/s41598-023-46153-5

Ejemplares similares

Molecular modeling of the structural, electronic, excited state dynamic, and the photovoltaic properties of the oligomers of n-corannulene (n = 1–4)
por: Hadi, Hamid, et al.
Publicado: (2023)

Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction
por: Louis, Hitler, et al.
Publicado: (2022)

Exploring the potential of single-metals (Cu, Ni, Zn) decorated Al(12)N(12) nanostructures as sensors for flutamide anticancer drug
por: Ejiofor, Emmanuel U., et al.
Publicado: (2023)

Heteroatom (B, N, P, and S)-Doped Cyclodextrin as a Hydroxyurea (HU) Drug Nanocarrier: A Computational Approach
por: Afahanam, Lucy E., et al.
Publicado: (2023)

Heteroatoms (Si, B, N, and P) doped 2D monolayer MoS(2) for NH(3) gas detection
por: Gber, Terkumbur E., et al.
Publicado: (2022)

Heteroatoms (B, N, S) doped quantum dots as potential drug delivery system for isoniazid: insight from DFT, NCI, and QTAIM
por: Edet, Henry O., et al.
Publicado: (2022)

Probing the Reactions of Thiourea (CH(4)N(2)S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C(59)X)
por: Louis, Hitler, et al.
Publicado: (2022)

Modeling of magnesium-decorated graphene quantum dot nanostructure for trapping AsH(3), PH(3) and NH(3) gases
por: Agwamba, Ernest C., et al.
Publicado: (2023)

Impact of Polythiophene ((C(4)H(4)S)(n); n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study
por: Agurokpon, Daniel C., et al.
Publicado: (2023)

Yttrium- and zirconium-decorated Mg(12)O(12)–X (X = Y, Zr) nanoclusters as sensors for diazomethane (CH(2)N(2)) gas
por: Gber, Terkumbur E., et al.
Publicado: (2023)

Synthesis, characterization, and molecular modeling of phenylenediamine-phenylhydrazine-formaldehyde terpolymer (PPHF) as potent anti-inflammatory agent
por: Mujafarkani, N., et al.
Publicado: (2023)

Modeling of Re(I) tricarbonyl complexes against SARS-CoV-2 receptor via DFT, in-silico molecular docking, and QSAR
por: Eno, Ededet A., et al.
Publicado: (2022)

Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H(2)S gas
por: Louis, Hitler, et al.
Publicado: (2022)

Synthesis, spectral characterization, and theoretical investigation of the photovoltaic properties of (E)-6-(4-(dimethylamino)phenyl)diazenyl)-2-octyl-benzoisoquinoline-1, 3-dione
por: Ofem, Mbang I., et al.
Publicado: (2022)

Assessing the Performance of Al(12)N(12) and Al(12)P(12) Nanostructured Materials for Alkali Metal Ion (Li, Na, K) Batteries
por: Louis, Hitler, et al.
Publicado: (2022)

Oxygen-induced doping on reduced PEDOT
por: Mitraka, E., et al.
Publicado: (2017)

Catalytic effects of Ni nanoparticles encapsulated in few-layer N-doped graphene and supported by N-doped graphitic carbon in Li–S batteries
por: Baikalov, Nurzhan, et al.
Publicado: (2023)

Aromaticity indices, electronic structural properties, and fuzzy atomic space investigations of naphthalene and its aza-derivatives
por: Edim, Moses M., et al.
Publicado: (2021)

Green Synthesis of Ni@PEDOT and Ni@PEDOT/Au (Core@Shell) Inverse Opals for Simultaneous Detection of Ascorbic Acid, Dopamine, and Uric Acid
por: Hung, Pei-Sung, et al.
Publicado: (2020)

Hybrid Energy Storage of Ni(OH)(2)-coated N-doped Graphene Aerogel//N-doped Graphene Aerogel for the Replacement of NiCd and NiMH Batteries
por: Sirisinudomkit, Pichamon, et al.
Publicado: (2017)

Atomically controlled substitutional boron-doping of graphene nanoribbons
por: Kawai, Shigeki, et al.
Publicado: (2015)

Atomic cobalt on nitrogen-doped graphene for hydrogen generation
por: Fei, Huilong, et al.
Publicado: (2015)

A First Principles study on Boron-doped Graphene decorated by Ni-Ti-Mg atoms for Enhanced Hydrogen Storage Performance
por: Nachimuthu, Santhanamoorthi, et al.
Publicado: (2015)

N-doped graphene layers encapsulated NiFe alloy nanoparticles derived from MOFs with superior electrochemical performance for oxygen evolution reaction
por: Feng, Yi, et al.
Publicado: (2016)

The adsorption behaviors of N(2)O on penta-graphene and Ni-doped penta-graphene
por: Hua, Hu, et al.
Publicado: (2022)

Proving the robustness of a PEDOT:PSS-based thermistor via functionalized graphene oxide–poly(vinylidene fluoride) composite encapsulation for food logistics
por: Maskey, Bijendra Bishow, et al.
Publicado: (2020)

Controlling Nitrogen Doping in Graphene with Atomic Precision: Synthesis and Characterization
por: Granzier-Nakajima, Tomotaroh, et al.
Publicado: (2019)

Ultralong Spin Lifetime in Light Alkali Atom Doped Graphene
por: Márkus, B. G., et al.
Publicado: (2020)

Atomically Precise Incorporation of BN-Doped Rubicene into Graphene Nanoribbons
por: Pawlak, Rémy, et al.
Publicado: (2022)

High performance flexible supercapacitors based on secondary doped PEDOT–PSS–graphene nanocomposite films for large area solid state devices
por: Khasim, Syed, et al.
Publicado: (2020)

In situ growth of PEDOT/graphene oxide nanostructures with enhanced electrochromic performance
por: Shi, Yingdi, et al.
Publicado: (2018)

Pedot:PSS/Graphene Oxide (GO) Ternary Nanocomposites for Electrochemical Applications
por: Greco, Giuseppe, et al.
Publicado: (2023)

Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca(12)O(12) Nanocages: An Intuition from DFT
por: Ogunwale, Goodness J., et al.
Publicado: (2023)

Commentary: Fairness is intuitive
por: Myrseth, Kristian O. R., et al.
Publicado: (2016)

Synthesis, characterization, and theoretical studies of the photovoltaic properties of novel reactive azonitrobenzaldehyde derivatives
por: Louis, Hitler, et al.
Publicado: (2021)

Osmium Atoms and Os(2) Molecules Move Faster on Selenium-Doped Compared to Sulfur-Doped Boronic Graphenic Surfaces
por: Barry, Nicolas P. E., et al.
Publicado: (2015)

Mechanism of CO Intercalation through the Graphene/Ni(111) Interface and Effect of Doping
por: Perilli, Daniele, et al.
Publicado: (2020)

Graphene on Ni(111): Electronic Corrugation and Dynamics from Helium Atom Scattering
por: Tamtögl, Anton, et al.
Publicado: (2015)

3D nitrogen-doped graphene foam with encapsulated germanium/nitrogen-doped graphene yolk-shell nanoarchitecture for high-performance flexible Li-ion battery
por: Mo, Runwei, et al.
Publicado: (2017)

Core/Shell Structure of Ni/NiO Encapsulated in Carbon Nanosphere Coated with Few- and Multi-Layered Graphene: Synthesis, Mechanism and Application
por: Ghaemi, Ferial, et al.
Publicado: (2016)

Cannot write session to /tmp/vufind_sessions/sess_t98qj9pmm6l0dgg0vq4cn64rq4