Cargando…

Ab initio Study of Anchoring Groups for CuGaO(2) Delafossite-Based p-Type Dye Sensitized Solar Cells

Here we report the first theoretical characterization of the interface between the CuGaO(2) delafossite oxide and the carboxylic (–COOH) and phosphonic acid (–PO(3)H(2)) anchoring groups. The promising use of delafossites as effective alternative to nickel oxide in p-type DSSC is still limited by pr...

Descripción completa

Detalles Bibliográficos
Autores principales:	Muñoz-García, Ana B., Caputo, Laura, Schiavo, Eduardo, Baiano, Carmen, Maddalena, Pasqualino, Pavone, Michele
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6449920/ https://www.ncbi.nlm.nih.gov/pubmed/30984735 http://dx.doi.org/10.3389/fchem.2019.00158

Ejemplares similares

Hydrothermal synthesized delafossite CuGaO(2) as an electrocatalyst for water oxidation
por: Gao, Han, et al.
Publicado: (2022)

Investigating various metal contacts for p-type delafossite α-CuGaO(2) to fabricate ultraviolet photodetector
por: Abrari, Masoud, et al.
Publicado: (2023)

Photoluminescence and photocatalytic properties of rhombohedral CuGaO(2) nanoplates
por: Shi, Linlin, et al.
Publicado: (2016)

Polymorph engineering of CuMO(2) (M = Al, Ga, Sc, Y) semiconductors for solar energy applications: from delafossite to wurtzite
por: Scanlon, David O., et al.
Publicado: (2015)

Delafossite CuCoO(2)/ZnO derived from ZIF-8 heterojunctions as efficient photoelectrodes for dye-sensitized solar cells
por: Roudgar-Amoli, Mostafa, et al.
Publicado: (2023)

First-Principles Study of Cu-Based Inorganic Hole Transport Materials for Solar Cell Applications
por: Pecoraro, Adriana, et al.
Publicado: (2022)

Interfacial stabilization for epitaxial CuCrO(2) delafossites
por: Ok, Jong Mok, et al.
Publicado: (2020)

Formation Energies of Antiphase Boundaries in GaAs and GaP: An ab Initio Study
por: Rubel, Oleg, et al.
Publicado: (2009)

Author Correction: Interfacial stabilization for epitaxial CuCrO(2) delafossites
por: Ok, Jong Mok, et al.
Publicado: (2023)

Ga and Zn increase the oxygen affinity of Cu-based catalysts for the CO(x) hydrogenation according to ab initio atomistic thermodynamics
por: Müller, Andreas, et al.
Publicado: (2022)

Dynamics Studies of Nitrogen Interstitial in GaN from Ab Initio Calculations
por: He, Huan, et al.
Publicado: (2020)

Ab initio electronic stopping power for protons in Ga(0.5)In(0.5)P/GaAs/Ge triple-junction solar cells for space applications
por: Koval, Natalia E., et al.
Publicado: (2020)

Nitrogen Dissolution in Liquid Ga and Fe: Comprehensive Ab Initio Analysis, Relevance for Crystallization of GaN
por: Piechota, Jacek, et al.
Publicado: (2021)

Luminescence of delafossite-type CuAlO(2) fibers with Eu substitution for Al cations
por: Liu, Yin, et al.
Publicado: (2016)

Unconventional aspects of electronic transport in delafossite oxides
por: Daou, Ramzy, et al.
Publicado: (2017)

Polarization Doping in a GaN-InN System—Ab Initio Simulation
por: Ahmad, Ashfaq, et al.
Publicado: (2023)

A facile novel synthesis of AgCuO(2) delafossite nanoparticles and evaluation of their antimicrobial activity
por: Ateia, Ebtesam E., et al.
Publicado: (2023)

Comparative Ab-Initio Study of Substituted Norbornadiene-Quadricyclane Compounds for Solar Thermal Storage
por: Kuisma, Mikael J., et al.
Publicado: (2016)

Design of two-photon molecular tandem architectures for solar cells by ab initio theory
por: Ørnsø, Kristian B., et al.
Publicado: (2015)

Ab Initio determination of Cu 3d orbital energies in layered copper oxides
por: Hozoi, Liviu, et al.
Publicado: (2011)

An ab initio DFT perspective on experimentally synthesized CuBi(2)O(4)
por: Hossain, Quazi Shafayat, et al.
Publicado: (2023)

Electronic Structure and Minimal Models for Flat and Corrugated CuO Monolayers: An Ab Initio Study
por: Slobodchikov, Anatoly A., et al.
Publicado: (2023)

Ab initio electron-two-phonon scattering in GaAs from next-to-leading order perturbation theory
por: Lee, Nien-En, et al.
Publicado: (2020)

Modeling of the Point Defect Migration across the AlN/GaN Interfaces—Ab Initio Study
por: Hrytsak, Roman, et al.
Publicado: (2022)

Experimental and ab initio studies of Co-doped ZnO nanophotocatalyst thin films for dye mineralization
por: Latif, Ansa, et al.
Publicado: (2023)

Accurate ab Initio Spin Densities
por: Boguslawski, Katharina, et al.
Publicado: (2012)

Discovering chemistry with an ab initio nanoreactor
por: Wang, Lee-Ping, et al.
Publicado: (2014)

Ab initio study of PbCr((1–x))S(x)O(4) solid solution: an inside look at Van Gogh Yellow degradation
por: Muñoz-García, Ana B., et al.
Publicado: (2016)

Hybrid photocathode consisting of a CuGaO(2) p-type semiconductor and a Ru(ii)–Re(i) supramolecular photocatalyst: non-biased visible-light-driven CO(2) reduction with water oxidation
por: Kumagai, Hiromu, et al.
Publicado: (2017)

Thermoelectric and Transport Properties of Delafossite CuCrO(2):Mg Thin Films Prepared by RF Magnetron Sputtering
por: Sinnarasa, Inthuga, et al.
Publicado: (2017)

Low-symmetry nonlocal transport in microstructured squares of delafossite metals
por: McGuinness, Philippa H., et al.
Publicado: (2021)

Ab initio design of nanostructures for solar energy conversion: a case study on silicon nitride nanowire
por: Pan, Hui
Publicado: (2014)

Light-Induced Control of the Spin Distribution on Cu–Dithiolene Complexes: A Correlated Ab Initio Study
por: Zapata-Rivera, Jhon, et al.
Publicado: (2019)

Ab Initio Time-Domain Study of Charge Relaxation and Recombination in N-Doped Cu(2)O
por: Su, Jianfeng, et al.
Publicado: (2023)

Ferro-piezoelectricity in emerging Janus monolayer BMX(2) (M = Ga, In and X = S, Se): ab initio investigations
por: Bezzerga, Djamel, et al.
Publicado: (2023)

Ab initio predictions of structure and physical properties of the Zr(2)GaC and Hf(2)GaC MAX phases under pressure
por: Qureshi, Muhammad Waqas, et al.
Publicado: (2021)

AUGUSTUS: ab initio prediction of alternative transcripts
por: Stanke, Mario, et al.
Publicado: (2006)

Ab initio gene identification in metagenomic sequences
por: Zhu, Wenhan, et al.
Publicado: (2010)

Germacrene D Cyclization: An Ab Initio Investigation
por: Setzer, William N.
Publicado: (2008)

Ab initio calculations of light ion reactions
por: Navrátil, P, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_l3q18kepe7fle50tg9qlip4c7p