Filtros de búsqueda

Lista de obras de Jinlong Yang

A Density Functional Study of the Nonlinear Optical Properties of Edge-Functionalized Nonplanar Nanographenes

scientific article published on 06 August 2015

A Simple Molecular Design Strategy for Two-Dimensional Covalent Organic Framework Capable of Visible-Light-Driven Water Splitting

artículo científico publicado en 2020

A first-principles study of gas adsorption on germanene

artículo científico publicado en 2014

A high performance catalyst for methane conversion to methanol: graphene supported single atom Co.

artículo científico publicado en 2018

A theoretical study of single-atom catalysis of CO oxidation using Au embedded 2D h-BN monolayer: a CO-promoted O₂ activation

artículo científico publicado en 2014

A theoretical study of the CuO3 species

artículo científico publicado en 2000

A theoretical study of the NiO2 species

artículo científico publicado en 2003

Ab initio photoionization dynamics of beta-alanine

artículo científico publicado en 2007

Accelerating Excitation Energy Computation in Molecules and Solids within Linear-Response Time-Dependent Density Functional Theory via Interpolative Separable Density Fitting Decomposition

artículo científico publicado en 2020

Active hydrogen species on TiO2 for photocatalytic H2 production

artículo científico publicado en 2014

Adding two active silver atoms on Au₂₅ nanoparticle

artículo científico publicado en 2015

AlxC Monolayer Sheets: Two-Dimensional Networks with Planar Tetracoordinate Carbon and Potential Applications as Donor Materials in Solar Cell

artículo científico publicado en 2014

Are pyridinium ylides radicals?

artículo científico publicado en 2020

Atomic-Level Construction of Tensile-Strained PdFe Alloy Surface toward Highly Efficient Oxygen Reduction Electrocatalysis

scientific article published on 27 January 2020

Atomistic Simulations of Graphene Growth: From Kinetics to Mechanism.

artículo científico publicado en 2018

Band Structure Tuning of TiO2 for Enhanced Photoelectrochemical Water Splitting

Band structure engineering of anatase TiO2 by metal-assisted P-O coupling

artículo científico publicado en 2014

Bilayer Graphene Growth via a Penetration Mechanism

article published in 2014

Bottom-up precise synthesis of stable platinum dimers on graphene

artículo científico publicado en 2017

Calculated polarizabilities of small Si clusters

artículo científico publicado en 2000

Carbon Dimers as the Dominant Feeding Species in Epitaxial Growth and Morphological Phase Transition of Graphene on Different Cu Substrates

artículo científico publicado en 2015

ChemInform Abstract: Magnetism in Graphene Systems

artículo científico publicado en 2009

Comparative Study on Electronic Structures of Sc and Ti Contacts with Monolayer and Multilayer MoS2

artículo científico publicado en 2015

Construction of direct Z-Scheme photocatalysts for overall water splitting using two-dimensional van der waals heterojunctions of metal dichalcogenides

scientific article published on 15 November 2018

Copper nanocrystal plane effect on stereoselectivity of catalytic deoxygenation of aromatic epoxides.

artículo científico publicado en 2015

CrXTe3(X = Si, Ge) nanosheets: two dimensional intrinsic ferromagnetic semiconductors

Creation of the Dirac Nodal Line by Extrinsic Symmetry Engineering

artículo científico publicado en 2020

Density Functional Study of Nonlinear Optical Properties of Grossly Warped Nanographene C80H30

Descriptor-Based Design Principle for Two-Dimensional Single-Atom Catalysts: Carbon Dioxide Electroreduction

scientific article published on 16 April 2020

Direct Z-Scheme Water Splitting Photocatalyst Based on Two-Dimensional Van Der Waals Heterostructures

scientific article published on 07 September 2018

Distinguishing adjacent molecules on a surface using plasmon-enhanced Raman scattering

artículo científico publicado en 2015

Double aromaticity in transition metal centered double-ring boron clusters M@B2n (M = Ti, Cr, Fe, Ni, Zn; n = 6, 7, 8).

artículo científico publicado en 2014

Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction

artículo científico publicado en 2019

Effects of stacking order, layer number and external electric field on electronic structures of few-layer C2N-h2D.

artículo científico publicado en 2015

Efficient method for fast simulation of scanning tunneling microscopy with a tip effect.

artículo científico publicado en 2014

Electron-induced ferromagnetic ordering of Co-doped ZnO

artículo científico publicado en 2007

Electronic and optical properties of TiO2 nanotubes and arrays: a first-principles study

scientific article published on 07 May 2014

Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes ⬇️

artículo científico publicado en 2014

Electronic transport in Z-junction carbon nanotubes

artículo científico publicado en 2004

Energy Level Realignment in Weakly Interacting Donor–Acceptor Binary Molecular Networks

Enhanced photocatalytic mechanism for the hybrid g-C3N4/MoS2 nanocomposite

scholarly article by Jiajun Wang et al published 2014 in Journal of Materials Chemistry A

Enhanced selective oxidation of h-BN nanosheet through a substrate-mediated localized charge effect

artículo científico publicado en 2017

Evidence of van Hove singularities in ordered grain boundaries of graphene

artículo científico publicado en 2014

First principles study of fluorine substitution on two-dimensional germanane

artículo científico publicado en 2014

First-Principles Study on Layered C2N-Metal Interfaces.

artículo científico publicado en 2018

Formation of Plasmonic Polarons in Highly Electron-Doped Anatase TiO<sub>2</sub>

scientific article published on 08 December 2020

Graphene nanoribbon as a negative differential resistance device

artículo científico publicado en 2009

HONPAS: A linear scaling open-source solution for large system simulations

Half-metallicity in MnPSe₃ exfoliated nanosheet with carrier doping.

artículo científico publicado en 2014

Hidden Order and Haldane-Like Phase in Molecular Chains Assembled from Conformation-Switchable Molecules

artículo científico publicado en 2018

Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.

artículo científico publicado en 2017

Highly confined water: two-dimensional ice, amorphous ice, and clathrate hydrates

artículo científico publicado en 2014

Highly efficient heterojunction solar cells enabled by edge-modified tellurene nanoribbons

scientific article published on 11 December 2020

Highly efficient photothermal effect by atomic-thickness confinement in two-dimensional ZrNCl nanosheets

artículo científico publicado en 2015

Identifying Photocatalytic Active Sites of C<sub>2</sub>H<sub>6</sub> C–H Bond Activation on TiO<sub>2</sub> via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations

artículo científico publicado en 2022

Interfacial Hydrogen-Bonding Dynamics in Surface-Facilitated Dehydrogenation of Water on TiO2(110)

artículo científico publicado en 2019

Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting

scientific article published on 24 September 2018

Is the kernel-staples match a key-lock match?

artículo científico publicado en 2018

Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters.

artículo científico publicado en 2018

Low-Rank Approximations Accelerated Plane-Wave Hybrid Functional Calculations with k-Point Sampling

artículo científico publicado en 2021

MAGNETISM IN GRAPHENE SYSTEMS

article published in 2008

Machine Learning K-Means Clustering Algorithm for Interpolative Separable Density Fitting to Accelerate Hybrid Functional Calculations with Numerical Atomic Orbitals

artículo científico publicado en 2020

Me-graphene: a graphene allotrope with near zero Poisson's ratio, sizeable band gap, and high carrier mobility

scientific article published on 17 September 2020

Mechanism for tautomerization induced conductance switching of naphthalocyanin molecule

artículo científico publicado en 2009

Mechanisms of Graphene Growth on Metal Surfaces: Theoretical Perspectives

scientific article published on 31 March 2014

Methanol-Selective Oxidation Pathways on Au Surfaces: A First-Principles Study

article published in 2014

Modified Morse potential for unification of the pair interactions

artículo científico publicado en 2007

Modulating oxygen coverage of Ti3C2Tx MXenes to boost catalytic activity for HCOOH dehydrogenation

artículo científico publicado en 2020

Molecular molds for regularizing Kondo states at atom/metal interfaces

scientific article published on 22 May 2020

Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry

artículo científico publicado en 2015

Nano-scale displacement sensing based on van der Waals interactions ⬇️

artículo científico publicado en 2015

One-Nanometer-Thick PtNiRh Trimetallic Nanowires with Enhanced Oxygen Reduction Electrocatalysis in Acid Media: Integrating Multiple Advantages into One Catalyst

artículo científico publicado en 2018

Photogenerated-Carrier Separation and Transfer in Two-Dimensional Janus Transition Metal Dichalcogenides and Graphene van der Waals Sandwich Heterojunction Photovoltaic Cells

artículo científico publicado en 2020

Precise Spin Manipulation of Single Molecule Positioning on Graphene by Coordination Chemistry

artículo científico publicado en 2020

Proposal of a general scheme to obtain room-temperature spin polarization in asymmetric antiferromagnetic semiconductors

scholarly article in Physical Review B, vol. 92 no. 12, September 2015

Proposed mechanical method for switching the spin transport channel in two-dimensional magnetic metal-magnetic semiconductor van der Waals contacts

scientific article published on 26 August 2020

Proximity Effect Induced Spin Injection in Phosphorene on Magnetic Insulator

artículo científico publicado en 2017

Quasi Pd1Ni single-atom surface alloy catalyst enables hydrogenation of nitriles to secondary amines

scientific article published on 01 November 2019

Rational Design of Cathode Structure for High Rate Performance Lithium-Sulfur Batteries

artículo científico publicado en 2015

Rational Design of Two-dimensional Anode Materials: B2S as a Strained Graphene

artículo científico publicado en 2018

Realizing Two-Dimensional Magnetic Semiconductors with Enhanced Curie Temperature by Antiaromatic Ring Based Organometallic Frameworks

artículo científico publicado en 2018

Reducing Circuit Depth in Adaptive Variational Quantum Algorithms via Effective Hamiltonian Theories

artículo científico publicado en 2022

Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram

artículo científico publicado en 2019

Room-Temperature Ferromagnetism in Transition Metal Embedded Borophene Nanosheets

scientific article published on 23 July 2019

Simulating Periodic Systems on a Quantum Computer Using Molecular Orbitals

scientific article published on 19 October 2020

Single layer of MX₃ (M = Ti, Zr; X = S, Se, Te): a new platform for nano-electronics and optics.

artículo científico publicado en 2015

Spin-flip excitations induced by dehydrogenation in a magnetic single-molecule junction

artículo científico publicado en 2019

Strain-Stabilized Metastable Face-Centered Tetragonal Gold Overlayer for Efficient CO<sub>2</sub> Electroreduction

artículo científico publicado en 2021

Structural and electrocatalytic properties of copper clusters: A study via deep learning and first principles

artículo científico publicado en 2022

Structural isomerism in gold nanoparticles revealed by X-ray crystallography. [Corrected].

artículo científico publicado en 2015

Synthesis and Properties Evolution of a Family of Tiara-like Phenylethanethiolated Palladium Nanoclusters.

artículo científico publicado en 2015

Tetrahedral Au17+: A Superatomic Molecule with a Au13 FCC Core

The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals

artículo científico publicado en 2020

The roles of buckled geometry and water environment in the excitonic properties of graphitic C3N4.

artículo científico publicado en 2018

Theoretical investigation of gold based model catalysts

Theoretical investigation on icosahedral C60(FeCp)12: A hybrid of C60 and ferrocene

Toward Room-Temperature Magnetic Semiconductors in Two-Dimensional Ferrimagnetic Organometallic Lattices

scientific article published on 01 May 2019

Tunable n-type and p-type doping of two-dimensional layered PdSe2via organic molecular adsorption

artículo científico publicado en 2020

Tuning Charge Transport in Aromatic-Ring Single-Molecule Junctions via Ionic-Liquid Gating

artículo científico publicado en 2018

Two-Dimensional Giant Tunable Rashba Semiconductors with Two-Atom-Thick Buckled Honeycomb Structure

artículo científico publicado en 2020

Two-Dimensional Multifunctional Metal-Organic Frameworks with Simultaneous Ferro-/Ferrimagnetism and Vertical Ferroelectricity

scientific article published on 05 May 2020

Two-Dimensional Stoichiometric Boron Oxides as a Versatile Platform for Electronic Structure Engineering.

artículo científico publicado en 2017

Two-dimensional Ca4N2 as a one-dimensional electride [Ca4N2]2+·2e- with ultrahigh conductance

artículo científico publicado en 2020

Unconventional p-d Hybridization Interaction in PtGa Ultrathin Nanowires Boosts Oxygen Reduction Electrocatalysis

artículo científico publicado en 2019

ψ-Phosphorene: a new allotrope of phosphorene

artículo científico publicado en 2017

Dominio Público Uruguay está sostenido por:

Acerca de Dominio Público Uruguay

Ayuda