Optical properties of functionalized Ti<sub>3</sub>C<sub>2</sub>T<sub>2</sub> (T = F, O, OH) MXene: First-principles calculations

Optical properties of functionalized Ti<sub>3</sub>C<sub>2</sub>T<sub>2</sub> (T = F, O, OH) MXene: First-principles calculations

<p dir="ltr">Role of surface termination on the dielectric and optical properties of Ti3C2T2 (T = F, O, OH) MXene is studied using first-principles density functional theory. The results show that the surface functionalization has a significant impact on the optical properties of the...

وصف كامل

محفوظ في:

التفاصيل البيبلوغرافية
المؤلف الرئيسي:	G. R. Berdiyorov (4435975) (author)
منشور في:	2016
الموضوعات:	Chemical sciences Theoretical and computational chemistry Engineering Materials engineering Nanotechnology Dielectric properties Optical properties MXenes Surface termination Density functional theory
الوسوم:	إضافة وسم لا توجد وسوم, كن أول من يضع وسما على هذه التسجيلة!

مواد مشابهة

First-Principles Density Functional Theory Calculations of Bilayer Membranes Heterostructures of Ti<sub>3</sub>C<sub>2</sub>T<sub>2</sub> (MXene)/Graphene and AgNPs
حسب: Golibjon. R. Berdiyorov (18520053)
منشور في: (2021)

Efficient Photocatalytic Degradation of Organic Dyes by AgNPs/TiO<sub>2</sub>/Ti<sub>3</sub>C<sub>2</sub>T<sub><em>x</em></sub> MXene Composites under UV and Solar Light
حسب: Zakarya Othman (11778968)
منشور في: (2021)

CO<sub>2</sub> adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations
حسب: G. R. Berdiyorov (4435975)
منشور في: (2016)

Antibacterial Activity of Ti<sub>3</sub>C<sub>2</sub>T<sub><em>x</em></sub> MXene
حسب: Kashif Rasool (2542492)
منشور في: (2016)

A fouling-resistant mixed-matrix nanofiltration membrane based on covalently cross-linked Ti<sub>3</sub>C<sub>2</sub> TX(MXene)/cellulose acetate
حسب: Ravi P. Pandey (1449436)
منشور في: (2020)

MXene (Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>)/Cellulose Acetate Mixed-Matrix Membrane Enhances Fouling Resistance and Rejection in the Crossflow Filtration Process
حسب: Reem S. Azam (17128813)
منشور في: (2022)

Separation of Water/Oil Emulsions by an Electrospun Copolyamide Mat Covered with a 2D Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene
حسب: AbdolAli Moghaddasi (20318325)
منشور في: (2020)

Efficient Antibacterial Membrane based on Two-Dimensional Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> (MXene) Nanosheets
حسب: Kashif Rasool (2542492)
منشور في: (2017)

Field-induced bound-state condensation and spin-nematic phase in SrCu<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub> revealed by neutron scattering up to 25.9 T
حسب: Ellen Fogh (17701086)
منشور في: (2024)

Enhancing thermoelectric properties of n-type Bi<sub>2</sub>Te<sub>2.55</sub>Se<sub>0.45</sub> through the incorporation of MXene nanosheets
حسب: Farah M. El-Makaty (14157090)
منشور في: (2025)

Tailored nanofiber composites for a flexible piezoelectric nanogenerator: Poly(vinylidene fluoride) with BaTiO<sub>3</sub>/NiFe<sub>2</sub>O<sub>4</sub>
حسب: Hemalatha Parangusan (6556133)
منشور في: (2024)

Engineering the structural, optical and photoelectrochemical properties of BaTiO<sub>3</sub>-CoFe<sub>2</sub>O<sub>4</sub> nanocomposite for photoelectrochemical water splitting
حسب: Hemalatha Parangusan (6556133)
منشور في: (2023)

TiO<sub>2</sub> encrusted MXene as a High-Performance anode material for Li-ion batteries
حسب: Hanan Abdurehman Tariq (17128909)
منشور في: (2022)

Microstructure and Compressive Behavior of Al–Y<sub>2</sub>O<sub>3</sub> Nanocomposites Prepared by Microwave-Assisted Mechanical Alloying
حسب: Manohar Reddy Mattli (18147568)
منشور في: (2019)

Enhanced optical properties of <i>β</i>-Ga<sub>2</sub>O<sub>3</sub>-<sub><em>x</em></sub>S<sub><em>x</em></sub>S: A DFT study
حسب: G.B. Eshonqulov (22927297)
منشور في: (2025)

Synthesis, Optical and Electrical Properties of MXENE (Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>) Ink Fabrication for Coating Application
حسب: R. Jothi Ramalignam (22303663)
منشور في: (2025)

Titanium Carbide (Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>) MXene Ornamented with Palladium Nanoparticles for Electrochemical CO Oxidation
حسب: Belal Salah (14150460)
منشور في: (2023)

First principle investigation of H<sub>2</sub>Se, H<sub>2</sub>Te and PH<sub>3</sub> sensing based on graphene oxide
حسب: Ehab Salih (17075206)
منشور في: (2020)

Permeabilities of CO<sub>2</sub>, H<sub>2</sub>S and CH<sub>4</sub> through Choline-Based Ionic Liquids: Atomistic-Scale Simulations
حسب: Abdukarem Amhamed (14603357)
منشور في: (2019)

Cobalt iron oxide (CoFe<sub>2</sub>O<sub>4</sub>) reinforced polyvinyl alcohol (PVA) based magnetoactive polymer nanocomposites for remote actuation
حسب: Ans Al Rashid (14777050)
منشور في: (2024)

Morphology Control of TiO<sub>2</sub> Nanorods Using KBr Salt for Enhancing the Photocatalytic Activity of TiO<sub>2</sub> and MoS<sub>2</sub>/TiO<sub>2</sub> Heterostructures
حسب: Zeineb A. Thiehmed (15945042)
منشور في: (2022)

CO, CO<sub>2</sub>, and SO<sub>2</sub> detection based on functionalized graphene nanoribbons: First principles study
حسب: Ehab Salih (17075206)
منشور في: (2020)

First principle study of transition metals codoped MoS<sub>2</sub> as a gas sensor for the detection of NO and NO<sub>2</sub> gases
حسب: Ehab Salih (17075206)
منشور في: (2021)

First principles investigation of CO and CO<sub>2 </sub>adsorption on graphene nanoribbon modified by ZrO<sub>x</sub>
حسب: Ahmad I. Ayesh (10188469)
منشور في: (2023)

Sodium Rich Vanadium Oxy‐Fluorophosphate – Na<sub>3.2</sub>Ni<sub>0.2</sub>V<sub>1.8</sub>(P<sub>4</sub>)<sub>2</sub>F<sub>2</sub>O – as Advanced Cathode for Sodium Ion Batteries
حسب: Rachid Essehli (7455887)
منشور في: (2023)

Structural and Optical Properties of Solvated PbI<sub>2</sub> in γ-Butyrolactone: Insight into the Solution Chemistry of Lead Halide Perovskite Precursors
حسب: Eros Radicchi (3757978)
منشور في: (2020)

ZnO-Doped gC<sub>3</sub>N<sub>4</sub>Nanocapsules for Enhancing the Performance of Electroless NiP Coating─Mechanical, Corrosion Protection, and Antibacterial Properties<sub>3</sub>N<sub>4</sub>Nanocapsules for Enhancing the Performance of Electroless NiP Coating─Mechanical, Corrosion Protection, and Antibacterial Properties
حسب: Fatma Nabhan (16324958)
منشور في: (2023)

Stability enhancement of Al<sub>2</sub>O<sub>3</sub>, ZnO, and TiO<sub>2</sub> binary nanofluids for heat transfer applications
حسب: Ans Ahmed Memon (21633692)
منشور في: (2024)

Fixed Point Results Using <i>F</i><sub><em>t</em></sub>-Contractions in Ordered Metric Spaces Having <i>t</i>-Property
حسب: Hassen Aydi (14550513)
منشور في: (2019)

Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O
حسب: Rachid Essehli (7455887)
منشور في: (2020)

An experimental and first principles DFT investigation on the effect of Cu addition to Ni/Al<sub>2</sub>O<sub>3</sub> catalyst for the dry reforming of methane
حسب: Anjaneyulu Chatla (4888933)
منشور في: (2020)

Fabrication of H<sub>2</sub>S gas sensors using Zn<sub>x</sub>Cu<sub>1-x</sub>Fe<sub>2</sub>O<sub>4</sub> nanoparticles
حسب: Mohammad Abu Haija (14150478)
منشور في: (2020)

DFT investigation of H<sub>2</sub>S and SO<sub>2 </sub>adsorption on Zn modified MoSe<sub>2</sub>
حسب: Ahmad I. Ayesh (10188469)
منشور في: (2022)

H<sub>2</sub>S and SO<sub>2</sub> adsorption on Cu doped MoSe<sub>2</sub>: DFT investigation
حسب: Ahmad I. Ayesh (10188469)
منشور في: (2022)

Comparative effects of CO<sub>2</sub> exposure on limestone and sandstone relevant to carbon sequestration in subsurface reservoirs
حسب: Osama Massarweh (17012217)
منشور في: (2025)

Electrochemical Reduction of CO<sub>2 </sub>(ERCO<sub>2</sub>) on Pb Electrocatalysts using Mn<sub>3</sub>O<sub>4</sub> as Anode
حسب: V. S. K. Yadav (17727660)
منشور في: (2025)

Stable Pickering emulsions comprising ZIF-8/MXene nanocomposites and chemical surfactant with effective H<sub>2</sub>S scavenging performance
حسب: Nansee S.K. Abu Zaid (22986676)
منشور في: (2025)

Using B<sub>4</sub>C Nanoparticles to Enhance Thermal and Mechanical Response of Aluminum
حسب: Fareeha Ubaid (14151129)
منشور في: (2017)

Co-precipitation synthesized nanostructured Ce<sub>0.9</sub>Ln0.<sub>05</sub>Ag0.<sub>05</sub>O<sub>2</sub><sub>−δ</sub> materials for solar thermochemical conversion of CO<sub>2</sub> into fuels
حسب: Gorakshnath Takalkar (14151135)
منشور في: (2020)

Adsorption and diffusion behavior of pure H<sub>2</sub>, and H<sub>2</sub>/CO<sub>2</sub>, H<sub>2</sub>/CH<sub>4</sub> mixtures in sandstone-rich clay shale reservoirs: Insights from molecular dynamics simulations
حسب: Alankaa Al-Harbi (22137029)
منشور في: (2025)