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Lista de obras de De-en Jiang

A classical density functional theory for interfacial layering of ionic liquids

A molecule-like PtAu24(SC6H13)18 nanocluster as an electrocatalyst for hydrogen production.

artículo científico publicado en 2017

Ab Initio Screening of CO2-philic Groups

artículo científico publicado en 2015

Absorption and Emission Sensitivity of 2-(2'-Hydroxyphenyl)benzoxazole to Solvents and Impurities.

artículo científico publicado en 2014

Accurate Static and Dynamic Properties of Liquid Electrolytes for Li-Ion Batteries from ab initio Molecular Dynamics

article

Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster.

artículo científico publicado en 2015

Alkynyl-Protected Au23Nanocluster: A 12-Electron System

artículo científico publicado en 2015

Alkynyl-protected silver nanoclusters featuring an anticuboctahedral kernel

artículo científico publicado en 2017

Anion-Functionalized Task-Specific Ionic Liquids: Molecular Origin of Change in Viscosity upon CO2 Capture

artículo científico publicado en 2014

Application of Density Functional Theory To Study the Double Layer of an Electrolyte with an Explicit Dimer Model for the Solvent

article

Atomically Precise Bimetallic Au19Cu30 Nanocluster with an Icosidodecahedral Cu30 Shell and an Alkynyl-Cu Interface.

artículo científico publicado en 2017

Au19 nanocluster featuring a V-shaped alkynyl-gold motif.

artículo científico publicado en 2015

B80 and B101-103 clusters: remarkable stability of the core-shell structures established by validated density functionals

Beyond the staple motif: a new order at the thiolate-gold interface.

artículo científico publicado en 2016

Capacitive Energy Extraction by Few-Layer Graphene Electrodes

Carbon Dioxide Capture by Superbase-Derived Protic Ionic Liquids

artículo científico publicado en 2010

Circumacenes versus periacenes: HOMO–LUMO gap and transition from nonmagnetic to magnetic ground state with size

artículo científico publicado en 2008

Cis–trans conversion of the CH3S–Au–SCH3 complex on Au(111)

scientific article published on 27 July 2009

CoP for hydrogen evolution: implications from hydrogen adsorption.

artículo científico publicado en 2016

Comparative Reaction Diagrams for the SN(2) Reaction Formulated According to the Leffler Analysis and the Hammond Postulate.

artículo científico publicado en 2016

Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities

scientific article published on 13 May 2019

Computational Insights into Materials and Interfaces for Capacitive Energy Storage

artículo científico publicado en 2017

Computational insight into the capacitive performance of graphene edge planes

scholarly article in Carbon, vol. 116, May 2017

Computational investigation of reactive to nonreactive capture of carbon dioxide by oxygen-containing Lewis bases

artículo científico publicado en 2010

Computational quest for spherical C12B68 fullerenes with “magic” π-electrons and quasi-planar tetra-coordinated carbon

artículo científico publicado en 2014

Contribution of Dielectric Screening to the Total Capacitance of Few-Layer Graphene Electrodes.

artículo científico publicado en 2016

Control of single-ligand chemistry on thiolated Au25 nanoclusters

artículo científico publicado en 2020

Controlling Reaction Selectivity through the Surface Termination of Perovskite Catalysts

artículo científico publicado en 2017

Coordination effect-regulated CO2capture with an alkali metal onium salts/crown ether system

article published in 2014

Correction to "Kinetic Charging Inversion in Ionic Liquid Electric Double Layers"

artículo científico publicado en 2020

Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces

artículo científico publicado en 2012

Density functional theory for differential capacitance of planar electric double layers in ionic liquids

Diphosphine-protected Au22 Nanoclusters on Oxide Supports Are Active for Gas Phase Catalysis Without Ligand Removal.

artículo científico publicado en 2016

Displacement of carbonates in Ca2UO2(CO3)3 by amidoxime-based ligands from free-energy simulations.

artículo científico publicado en 2018

Dopant-Dependent Electronic Structures Observed for M2Au36(SC6H13)24 Clusters (M = Pt, Pd).

artículo científico publicado en 2018

Effect of Cross-Link Density on Carbon Dioxide Separation in Polydimethylsiloxane-Norbornene Membranes

artículo científico publicado en 2015

Effect of Salt on the Uranyl Binding with Carbonate and Calcium Ions in Aqueous Solutions.

artículo científico publicado en 2017

Effects of Metal-Doping on Hydrogen Evolution Reaction Catalyzed by MAu24 and M2Au36 Nanoclusters (M = Pt, Pd)

artículo científico publicado en 2018

Effects of alloying on the chemistry of CO and H2S on Fe surfaces

artículo científico publicado en 2005

Electrochemical Windows of Sulfone-Based Electrolytes for High-Voltage Li-Ion Batteries

artículo científico publicado en 2011

Electronic ground state of higher acenes

artículo científico publicado en 2007

Elucidation of the Reaction Mechanism for High-Temperature Water Gas Shift over an Industrial-Type Copper-Chromium-Iron Oxide Catalyst

artículo científico publicado en 2019

Enhancing graphene capacitance by nitrogen: effects of doping configuration and concentration

artículo científico publicado en 2016

Entropic selectivity in air separation via a bilayer nanoporous graphene membrane

artículo científico publicado en 2019

Expanded Porphyrins as Two-Dimensional Porous Membranes for CO2 Separation.

artículo científico publicado en 2015

First Principles Molecular Dynamics Simulation of a Task-Specific Ionic Liquid Based on Silver−Olefin Complex: Atomistic Insights into a Separation Process

article

First-principles molecular dynamics simulation of the Ca2UO2(CO3)3 complex in water

artículo científico publicado en 2016

Fluorescence of Hydroxyphenyl-Substituted “Click” Triazoles

artículo científico publicado en 2018

From Superatomic Au25(SR)18−to Superatomic M@Au24(SR)18qCore−Shell Clusters

artículo científico publicado en 2009

From trans-polyacetylene to zigzag-edged graphene nanoribbons

article

Functionalizing Porous Aromatic Frameworks with Polar Organic Groups for High-Capacity and Selective CO2Separation: A Molecular Simulation Study

article

General Structure-Reactivity Relationship for Oxygen on Transition-Metal Oxides

artículo científico publicado en 2017

Global minimization of gold clusters by combining neural network potentials and the basin-hopping method.

artículo científico publicado en 2015

Gold Nanowired: A Linear (Au25)n Polymer from Au25 Molecular Clusters

scientific article published on 08 August 2014

Gold Sulfide Nanoclusters: A Unique Core-In-Cage Structure

artículo científico publicado en 2010

Graphitic mesoporous carbon-supported molybdenum carbides for catalytic hydrogenation of carbon monoxide to mixed alcohols

Harnessing strong metal-support interactions via a reverse route

artículo científico publicado en 2020

Highly Efficient Carbon Monoxide Capture by Carbanion-Functionalized Ionic Liquids through C-Site Interactions

artículo científico publicado en 2017

Highly soluble alkoxide magnesium salts for rechargeable magnesium batteries

scholarly article by Chen Liao et al published 2014 in Journal of Materials Chemistry A

Hollow Polyhedral Structures in Small Gold−Sulfide Clusters

artículo científico publicado en 2011

How Do Aryl Groups Attach to a Graphene Sheet?

artículo científico publicado en 2006

Identification of a highly luminescent Au22(SG)18 nanocluster.

artículo científico publicado en 2014

Insights into CO2/N2 separation through nanoporous graphene from molecular dynamics

article

Insights into Interfaces, Stability, Electronic Properties, and Catalytic Activities of Atomically Precise Metal Nanoclusters from First Principles

artículo científico publicado en 2018

Interaction of Gold Clusters with a Hydroxylated Surface

artículo científico publicado en 2011

Interconversion between Superatomic 6-Electron and 8-Electron Configurations of M@Au₂₄(SR)₁₈ Clusters (M = Pd, Pt).

artículo científico publicado en 2015

Interface Engineering of Earth-Abundant Transition Metals Using Boron Nitride for Selective Electroreduction of CO2.

artículo científico publicado en 2018

Ion-Gated Gas Separation through Porous Graphene.

artículo científico publicado en 2017

Isomerism in Au28(SR)20 Nanocluster and Stable Structures

artículo científico publicado en 2016

Kinetic Charging Inversion in Ionic Liquid Electric Double Layers

artículo científico publicado en 2014

Lattice-Hydride Mechanism in Electrocatalytic CO2 Reduction by Structurally Precise Copper-Hydride Nanoclusters.

artículo científico publicado en 2017

Ligand-Conformation Energy Landscape of Thiolate-Protected Gold Nanoclusters

Mechanochemical synthesis of pillar[5]quinone derived multi-microporous organic polymers for radioactive organic iodide capture and storage

artículo científico publicado en 2020

Methane Chemisorption on Oxide-Supported Pt Single Atom

artículo científico publicado en 2019

Microscopic Insights into the Electrochemical Behavior of Nonaqueous Electrolytes in Electric Double-Layer Capacitors

artículo científico publicado en 2013

Mn monolayer modified Rh for syngas-to-ethanol conversion: a first-principles study

artículo científico publicado en 2011

Monoplatinum Doping of Gold Nanoclusters and Catalytic Application

artículo científico publicado en 2012

New Bonding Model of Radical Adsorbate on Lattice Oxygen of Perovskites

artículo científico publicado en 2018

New insight into carbon-nanotube electronic-structure selectivity

artículo científico publicado en 2008

Nitrogen-doped porous aromatic frameworks for enhanced CO2 adsorption

artículo científico publicado en 2014

Olefin adsorption on silica-supported silver salts--a DFT study

artículo científico publicado en 2006

Open-Shell Singlet Character of Cyclacenes and Short Zigzag Nanotubes

artículo científico publicado en 2007

Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene

artículo científico publicado en 2011

Origins and Implications of Interfacial Capacitance Enhancements in C60-Modified Graphene Supercapacitors

artículo científico publicado en 2018

Oscillation of capacitance inside nanopores

artículo científico publicado en 2011

Oxidation Potentials of Functionalized Sulfone Solvents for High-Voltage Li-Ion Batteries: A Computational Study

scientific article published on 06 March 2012

Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments

artículo científico publicado en 2009

Pd-Metalated Conjugated Nanoporous Polycarbazoles for Additive-Free Cyanation of Aryl Halides: Boosting Catalytic Efficiency through Spatial Modulation.

artículo científico publicado en 2017

Permeance of H2 through porous graphene from molecular dynamics

article

Physicochemical properties of imidazolium-derived ionic liquids with different C-2 substitutions.

artículo científico publicado en 2011

Porous graphene as the ultimate membrane for gas separation.

artículo científico publicado en 2009

Porous liquid zeolites: hydrogen bonding-stabilized H-ZSM-5 in branched ionic liquids

artículo científico publicado en 2019

Precise control of alloying sites of bimetallic nanoclusters via surface motif exchange reaction.

artículo científico publicado en 2017

Prediction of a highly activated state of CO adsorbed on an Al/Fe(100) bimetallic surface

artículo científico publicado en 2006

Proton Redox and Transport in MXene-Confined Water

scientific article published on 18 December 2019

Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials

artículo científico publicado en 2020

Quantum Effects on the Capacitance of Graphene-Based Electrodes

Quantum Mechanical Basis for Kinetic Diameters of Small Gaseous Molecules

artículo científico publicado en 2014

Rational design and synthesis of a porous, task-specific polycarbazole for efficient CO2 capture

artículo científico publicado en 2016

Real Time Monitoring of the Dynamic Intracluster Diffusion of Single Gold Atoms into Silver Nanoclusters

artículo científico publicado en 2019

Revealing isoelectronic size conversion dynamics of metal nanoclusters by a noncrystallization approach.

artículo científico publicado en 2018

Selective Charging Behavior in an Ionic Mixture Electrolyte-Supercapacitor System for Higher Energy and Power

artículo científico publicado en 2017

Selective Deposition of Ru Nanoparticles on TiSi2 Nanonet and Its Utilization for Li2O2 Formation and Decomposition

artículo científico publicado en 2014

Selectivity trend of gas separation through nanoporous graphene

Simulating the Initial Stage of Phenolic Resin Carbonization via the ReaxFF Reactive Force Field

article

Single rhodium atoms anchored in micropores for efficient transformation of methane under mild conditions.

artículo científico publicado en 2018

Site Partition: Turning One Site into Two for Adsorbing CO2.

artículo científico publicado en 2016

Solubility of Gases in a Common Ionic Liquid from Molecular Dynamics Based Free Energy Calculations

article

Solvation of the Ca2UO2(CO3)3 Complex in Seawater from Classical Molecular Dynamics.

artículo científico publicado en 2016

Solvent Effect on the Pore-Size Dependence of an Organic Electrolyte Supercapacitor

artículo científico publicado en 2012

Solvent Polarity Governs Ion Interactions and Transport in a Solvated Room-Temperature Ionic Liquid.

artículo científico publicado en 2016

Stabilizing gold clusters by heterostructured transition-metal oxide–mesoporous silica supports for enhanced catalytic activities for CO oxidation

Staple Fitness: A Concept To Understand and Predict the Structures of Thiolated Gold Nanoclusters

artículo científico publicado el 20 de septiembre de 2011

Steric effects in the reaction of aryl radicals on surfaces

artículo científico publicado en 2009

Structural Evolution of Tcn (n = 4-20) Clusters from First-Principles Global Minimization

artículo científico publicado en 2015

Structure and Dynamics of Aqueous Electrolytes Confined in 2D-TiO<sub>2</sub>/Ti<sub>3</sub>C<sub>2</sub>T<sub>2</sub> MXene Heterostructures

artículo científico publicado en 2020

Structure and bonding between an aryl group and metal surfaces

artículo científico publicado en 2006

Structure and dynamics of CO2 and N2 in a tetracyanoborate based ionic liquid

article

Structure of Au15(SR)13 and its implication for the origin of the nucleus in thiolated gold nanoclusters.

artículo científico publicado en 2013

Substitution Effect Guided Synthesis of Task-Specific Nanoporous Polycarbazoles with Enhanced Carbon Capture

scholarly article by Feng Jiang et al published 27 July 2016 in Macromolecules

Sulfate recognition by persistent crystalline capsules with rigidified hydrogen-bonding cavities

artículo científico publicado en 2008

Superatomic Orbitals under Spin-Orbit Coupling

artículo científico publicado en 2014

Synthesis and Characterization of Lithium Bis(fluoromalonato)borate for Lithium-Ion Battery Applications

Synthesis of Water-Soluble [Au25(SR)18]- Using a Stoichiometric Amount of NaBH4

scientific article published on 30 August 2018

The N-B Interaction through a Water Bridge: Understanding the Chemoselectivity of a Fluorescent Protein Based Probe for Peroxynitrite

artículo científico publicado en 2016

The expanding universe of thiolated gold nanoclusters and beyond

artículo científico publicado en 2013

The halogen analogs of thiolated gold nanoclusters

scientific article published on 27 April 2012

The ligand effect on the isomer stability of Au24(SR)20 clusters.

artículo científico publicado en 2015

The role of low-coordinate oxygen on Co3O4(110) in catalyticCO oxidation

artículo científico publicado en 2010

The strategies for improving carbon dioxide chemisorption by functionalized ionic liquids

scholarly article in RSC Advances, vol. 3 no. 36, 2013

The surface structure of silver-coated gold nanocrystals and its influence on shape control

artículo científico publicado en 2015

The “Staple” Motif: A Key to Stability of Thiolate-Protected Gold Nanoclusters

scientific article published on 08 February 2008

Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversions Between Graphene

article

Theoretical investigation on two-dimensional non-traditional carbon materials employing three-membered ring and four-membered ring as building blocks

scholarly article in Carbon, vol. 95, December 2015

Thiolate ligands as a double-edged sword for CO oxidation on CeO2 supported Au25(SCH2CH2Ph)18 nanoclusters.

artículo científico publicado en 2014

Thiolate-Protected Trimetallic Au∼20Ag∼4Pd and Au∼20Ag∼4Pt Alloy Clusters with Controlled Chemical Composition and Metal Positions

scientific article published on 03 May 2018

Thiolated Gold Nanowires: Metallic versus Semiconducting

article

Three-orders-of-magnitude variation of carrier lifetimes with crystal phase of gold nanoclusters

artículo científico publicado en 2019

Time-dependent density functional theory for ion diffusion in electrochemical systems

artículo científico publicado en 2014

Toward understanding the growth mechanism: tracing all stable intermediate species from reduction of Au(I)-thiolate complexes to evolution of Au₂₅ nanoclusters

artículo científico publicado en 2014

Transformation Strategy for Highly Crystalline Covalent Triazine Frameworks: From Staggered AB to Eclipsed AA Stacking

scientific article published on 01 April 2020

Tuning the Basicity of Ionic Liquids for Equimolar CO2 Capture

artículo científico publicado en 2011

Understanding seed-mediated growth of gold nanoclusters at molecular level

artículo científico publicado en 2017

Understanding the Binding of a Bifunctional Amidoximate-Carboxylate Ligand with Uranyl in Seawater

scientific article published on 10 December 2018

Understanding the High Solubility of CO2in an Ionic Liquid with the Tetracyanoborate Anion

artículo científico publicado en 2011

Understanding the MXene Pseudocapacitance.

artículo científico publicado en 2018

Universal Surface Engineering of Transition Metals for Superior Electrocatalytic Hydrogen Evolution in Neutral Water.

artículo científico publicado en 2017

Unusual effects of solvent polarity on capacitance for organic electrolytes in a nanoporous electrode

artículo científico publicado en 2014

Uranyl-Glutardiamidoxime Binding from First-Principles Molecular Dynamics, Classical Molecular Dynamics, and Free-Energy Simulations

artículo científico publicado en 2017

Vibrational cross-angles in condensed molecules: a structural tool

artículo científico publicado en 2013