Cargando…

A First Principles Study of H(2) Adsorption on LaNiO(3)(001) Surfaces

The adsorption of H(2) on LaNiO(3) was investigated using density functional theory (DFT) calculations. The adsorption sites, adsorption energy, and electronic structure of LaNiO(3)(001)/H(2) systems were calculated and indicated through the calculated surface energy that the (001) surface was the m...

Descripción completa

Detalles Bibliográficos
Autores principales:	Pan, Changchang, Chen, Yuhong, Wu, Na, Zhang, Meiling, Yuan, Lihua, Zhang, Cairong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5344605/ https://www.ncbi.nlm.nih.gov/pubmed/28772396 http://dx.doi.org/10.3390/ma10010036

Ejemplares similares

Theoretical Study of Hydrogen on LaFeO(3) (010) Surface Adsorption and Subsurface Diffusion
por: Pan, Changchang, et al.
Publicado: (2018)

Modulation of metal-insulator transitions of NdNiO(3)/LaNiO(3)/NdNiO(3) trilayers via thickness control of the LaNiO(3) layer
por: Nguyen, Tai, et al.
Publicado: (2019)

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations
por: Chen, Yuhong, et al.
Publicado: (2017)

Latent instabilities in metallic LaNiO(3) films by strain control of Fermi-surface topology
por: Yoo, Hyang Keun, et al.
Publicado: (2015)

Control of Columnar Grain Microstructure in CSD LaNiO(3) Films
por: Atanova, Aleksandra V., et al.
Publicado: (2023)

Observation of an antiferromagnetic quantum critical point in high-purity LaNiO(3)
por: Liu, Changjiang, et al.
Publicado: (2020)

Li-Decorated β(12)-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study
por: Liu, Tingting, et al.
Publicado: (2017)

Enhanced OER Performance and Dynamic Transition of Surface Reconstruction in LaNiO(3) Thin Films with Nanoparticles Decoration
por: Liu, Huan, et al.
Publicado: (2023)

Antiferromagnetic correlations in the metallic strongly correlated transition metal oxide LaNiO(3)
por: Guo, H., et al.
Publicado: (2018)

Induced Autophagy of Macrophages and the Regulation of Inflammatory Effects by Perovskite Nanomaterial LaNiO(3)
por: Wei, Yang, et al.
Publicado: (2021)

First-Principles Study of the Reaction between Fluorinated Graphene and Ethylenediamine
por: Tian, Jin, et al.
Publicado: (2019)

First-Principles Dynamics of Fluorine Adsorption on Clean and Monohydrogenated Si{001}
por: Wu, Ian Y. H., et al.
Publicado: (2022)

Direct observation of the dynamic reconstructed active phase of perovskite LaNiO(3) for the oxygen-evolution reaction
por: Sun, Yan, et al.
Publicado: (2023)

Porous Perovskite LaNiO(3) Nanocubes as Cathode Catalysts for Li-O(2) Batteries with Low Charge Potential
por: Zhang, Jian, et al.
Publicado: (2014)

Role of 2D and 3D defects on the reduction of LaNiO(3) nanoparticles for catalysis
por: Singh, Sarika, et al.
Publicado: (2017)

Nature of the metal-insulator transition in few-unit-cell-thick LaNiO(3) films
por: Golalikhani, M., et al.
Publicado: (2018)

Perovskite LaNiO(3)/Ag(3)PO(4) heterojunction photocatalyst for the degradation of dyes
por: Ameen, Shahzad, et al.
Publicado: (2022)

First-principles study of the effect of dopants (Pd, Ni) on the formation and desorption of T(2)O from a Li(2)TiO(3) (001) surface
por: Fang, Yiyu, et al.
Publicado: (2019)

Synthesis of Two-Dimensional Sr-Doped LaNiO(3) Nanosheets with Improved Electrochemical Performance for Energy Storage
por: Zhang, Bin, et al.
Publicado: (2021)

Engineered Mott ground state in a LaTiO(3+δ)/LaNiO(3) heterostructure
por: Cao, Yanwei, et al.
Publicado: (2016)

The Exchange Bias of LaMnO(3)/LaNiO(3) Superlattices Grown along Different Orientations
por: Zang, Julu, et al.
Publicado: (2017)

Reset-First and Multibit-Level Resistive-Switching Behavior of Lanthanum Nickel Oxide (LaNiO(3−x)) Thin Films
por: Kim, Daewoo, et al.
Publicado: (2023)

Adsorption of CO over the Heusler alloy CrCoIrGa(001) surface: first-principles insights
por: Mebed, Abdelazim M., et al.
Publicado: (2022)

Tuning the Electronic Structure of LaNiO(3) through Alloying with Strontium to Enhance Oxygen Evolution Activity
por: Liu, Jishan, et al.
Publicado: (2019)

Atomic-Scale Insights into Nickel Exsolution on LaNiO(3) Catalysts via In Situ Electron Microscopy
por: Cao, Pengfei, et al.
Publicado: (2021)

Adsorption of NO(x) (x = 1, 2) Molecules on the CoFeMnSi(001) Surface: First-Principles Insights
por: Mushtaq, Muhammad, et al.
Publicado: (2023)

Morphology-dependent adsorption energetics of Ru nanoparticles on hcp-boron nitride (001) surface – a first-principles study
por: Senthamaraikannan, Thillai Govindaraja, et al.
Publicado: (2023)

Enzyme-less amperometric sensor manufactured using a Nafion–LaNiO(3) nanocomposite for hydrogen peroxide
por: Ahmadi, Elahe, et al.
Publicado: (2020)

Ferromagnetic order controlled by the magnetic interface of LaNiO(3)/La(2/3)Ca(1/3)MnO(3) superlattices
por: Soltan, S., et al.
Publicado: (2023)

Electrocatalytic performances of g-C(3)N(4)-LaNiO(3) composite as bi-functional catalysts for lithium-oxygen batteries
por: Wu, Yixin, et al.
Publicado: (2016)

The Role of Surface Defects in the Adsorption of Methanol on Fe(3)O(4)(001)
por: Gamba, Oscar, et al.
Publicado: (2016)

Periodic Density Matrix Embedding for CO Adsorption on the MgO(001) Surface
por: Mitra, Abhishek, et al.
Publicado: (2022)

Improving Fast Charging-Discharging Performances of Ni-Rich LiNi(0.8)Co(0.1)Mn(0.1)O(2) Cathode Material by Electronic Conductor LaNiO(3) Crystallites
por: Li, Tongxin, et al.
Publicado: (2022)

Fermi Level shifting, Charge Transfer and Induced Magnetic Coupling at La(0.7)Ca(0.3)MnO(3)/LaNiO(3) Interface
por: Ning, Xingkun, et al.
Publicado: (2015)

First-Principles Calculation of Adsorption of Shale Gas on CaCO(3) (100) Surfaces
por: Luo, Qiang, et al.
Publicado: (2017)

Atomic scale interfacial magnetism and origin of metal-insulator transition in (LaNiO[Formula: see text] )[Formula: see text] /(CaMnO[Formula: see text] )[Formula: see text] superlattices: a first principles study
por: Jilili, J., et al.
Publicado: (2023)

First-Principles Study on the Adsorption Behavior of O(2) on the Surface of Plutonium Gallium System
por: Li, Longxian, et al.
Publicado: (2022)

Large phonon drag thermopower boosted by massive electrons and phonon leaking in LaAlO(3)/LaNiO(3)/LaAlO(3) heterostructure
por: Kimura, Masatoshi, et al.
Publicado: (2021)

Sorption Studies of Tetracycline Antibiotics on Hydroxyapatite (001) Surface—A First-Principles Insight
por: Song, Jiaming, et al.
Publicado: (2022)

First-Principles Study of Nitrogen Adsorption and Dissociation on PuH(2) (111) Surface
por: Wang, Changshui, et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_6l5n2dji3ji7coior93umj20qp