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List of works by Jia Li

Ab initio Study of Half-Metallicity and Magnetism of Complex Organometallic Molecular Wires

Activated dissociation ofO2on Pb(111) surfaces by Pb adatoms

scholarly article in Physical Review B, vol. 80 no. 7, August 2009

Adsorption of DNA/RNA nucleobases on hexagonal boron nitride sheet: an ab initio study

scientific article published on 03 June 2011

Alkali-Metal-Doped B80 as High-Capacity Hydrogen Storage Media

article published in 2008

Cation vacancy stabilization of single-atomic-site Pt1/Ni(OH)x catalyst for diboration of alkynes and alkenes.

scientific article

Coordination Engineering in Cobalt-Nitrogen-Functionalized Materials for CO2 Reduction

scientific article published on 14 October 2019

Dirac fermions in strongly bound graphene systems

scientific article published on 14 November 2012

Effects of solvent on structures and properties of electrospun poly(ethylene oxide) nanofibers

Effects of strain and oxygen vacancies on the ferroelectric and antiferrodistortive distortions inPbTiO3/SrTiO3superlattice

scholarly article in Physical Review B, vol. 92 no. 11, September 2015

Engineering unsymmetrically coordinated Cu-S1N3 single atom sites with enhanced oxygen reduction activity

scientific article published on 16 June 2020

Enhanced Sulfur Redox and Polysulfide Regulation via Porous VN-Modified Separator for Li-S Batteries

scientific article published on 05 February 2019

Ferromagnetism and topological surface states of manganese doped Bi2Te3: insights from density-functional calculations

scientific article published in March 2014

First-principles study of native defects in LiTi 2 O 4

Formation, Morphology, and Effect of Complex Defects in Boron Nitride Nanotubes: An ab initio Calculation

Fractal dendrite-based electrically conductive composites for laser-scribed flexible circuits.

scientific article

High-Resolution Scanning Tunneling Spectroscopy of Magnetic Impurity Induced Bound States in the Superconducting Gap of Pb Thin Films

scientific article published in Physical Review Letters

How Nitrogen-Doped Graphene Quantum Dots Catalyze Electroreduction of CO2 to Hydrocarbons and Oxygenates

article published in 2017

Hydrogen-induced metallization of zinc oxide(21¯1¯0)surface and nanowires: The effect of curvature

scholarly article in Physical Review B, vol. 77 no. 24, June 2008

Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks

scientific article published in 2022

Long periodic oscillation of electronic properties in capped finite-length armchair carbon nanotubes

scholarly article in Physical Review B, vol. 71 no. 7, February 2005

Magnetism of C Adatoms on BN Nanostructures: Implications for Functional Nanodevices

scientific article published on 01 February 2009

Metallicity retained by covalent functionalization of graphene with phenyl groups

scientific article

Microscopic origin of thep-type conductivity of the topological crystalline insulator SnTe and the effect of Pb alloying

scholarly article in Physical Review B, vol. 89 no. 4, January 2014

Molecular and atomic adsorption of hydrogen on TiO 2 nanotubes: An ab initio study

Monolayer charge-neutral graphene on platinum with extremely weak electron-phonon coupling ⬇️

scholarly article in Physical Review B, vol. 92 no. 11, September 2015

Narrowed bandgaps and stronger excitonic effects from small boron nitride nanotubes

scholarly article

Nickelocene-Precursor-Facilitated Fast Growth of Graphene/h-BN Vertical Heterostructures and Its Applications in OLEDs

scientific article published on 20 June 2017

Preparing spin-polarized scanning tunneling microscope probes on capped carbon nanotubes by Fe doping: A first-principles study

Realizing Ultralow Concentration Gelation of Graphene Oxide with Artificial Interfaces

scientific article published on 28 December 2018

Reversible and selective ion intercalation through the top surface of few-layer MoS

scientific article published in Nature Communications

Room-temperature dissociative hydrogen chemisorption on boron-doped fullerenes

scholarly article in Physical Review B, vol. 77 no. 23, June 2008

Secondary batteries with multivalent ions for energy storage.

scientific article

Selective adsorption of first-row atoms on BN nanotubes

Spontaneous edge-defect formation and defect-induced conductance suppression in graphene nanoribbons

scholarly article in Physical Review B, vol. 82 no. 11, September 2010

Spontaneous self-intercalation of copper atoms into transition metal dichalcogenides

scientific article published on 14 February 2020

Superhierarchical Cobalt-Embedded Nitrogen-Doped Porous Carbon Nanosheets as Two-in-One Hosts for High-Performance Lithium-Sulfur Batteries.

scientific article published on 9 February 2018

Tailoring Native Defects and Zinc Impurities in Li4Ti5O12: Insights from First-Principles Study

The transition metal surface dependent methane decomposition in graphene chemical vapor deposition growth

scientific article published on 01 August 2017

Theory of the Dirac half metal and quantum anomalous Hall effect in Mn-intercalated epitaxial graphene ⬇️

scientific article published on 9 November 2015

Tunable Structural, Electronic, and Optical Properties of Layered Two-Dimensional C2N and MoS2 van der Waals Heterostructure as Photovoltaic Material

Universal Descriptor for Large-Scale Screening of High-Performance MXene-Based Materials for Energy Storage and Conversion

article published in 2018

Unveiling the Axial Hydroxyl Ligand on Fe-N4-C Electrocatalysts and Its Impact on the pH-Dependent Oxygen Reduction Activities and Poisoning Kinetics

scientific article published on 27 April 2020

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