List of works - Shuping Huang

A periodic density functional theory study on the effects of halides encapsulated in SiC nanotubes

scientific article published on 01 November 2008

A theoretical investigation of hyperpolarizability for small Ga(n)As(m) (n + m = 4-10) clusters

scientific article published on 01 March 2006

Carbon-based dots for the electrochemical production of hydrogen peroxide

scientific article published on 09 June 2020

Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds

scientific article published on 9 August 2013

DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase (sMMO): effects of oxidation state, spin state, and coordination number

scientific article published on 01 January 2013

Design of efficient thermally activated delayed fluorescence materials for pure blue organic light emitting diodes.

scientific article published on 29 August 2012

Effect of cage charges on multiphoton absorptions: first-principles study on metallofullerenes Sc(2)C(2)@C(68) and Sc(3)N@C(68).

scientific article published in May 2009

Effective Electrochemical Charge Storage in the High-Lithium Compound Li8ZrO6

scientific article published on 22 January 2019

Electronic Origin for Enhanced Nonlinear Optical Response of Complexes from Tetraalkylammonium Halide and Carbon Tetrabromide: Electrostatic Potentials of Intermolecular Donor–Acceptor Dyads

scientific article published on 01 September 2006

First-principles determinations and investigations of the electronic absorption and third-order polarizability spectra of electron donor-acceptor chromophores tetraalkylammonium halide/carbon tetrabromide.

scientific article published on 3 August 2007

First-principles study: size-dependent optical properties for semiconducting silicon carbide nanotubes

scientific article published in August 2007

From molecule to bulk material: optical properties of hydrogen-bonded dimers [C12H12N4O2AgPF6]2 and [C28H28N6O3AgPF6]2 depend on the arrangement of the oxime moieties.

scientific article published in January 2007

In Situ Confined Co5Ge3 Alloy Nanoparticles in Nitrogen-Doped Carbon Nanotubes for Boosting Lithium Storage

scientific article published on 29 September 2020

KMBP2O8 (M = Sr, Ba): a new kind of noncentrosymmetry borophosphate with the three-dimensional diamond-like framework

scientific article published on 01 July 2009

Localizing Holes as Polarons and Predicting Band Gaps, Defect Levels, and Delithiation Energies of Solid-State Materials with a Local Exchange-Correlation Functional

Mechanism of electrochemical lithiation of a metal-organic framework without redox-active nodes

scientific article published on May 2016

Metal-organic framework-derived hollow structure CoS2/nitrogen-doped carbon spheres for high-performance lithium/sodium ion batteries

scientific article published on 09 March 2020

MnSb2S4 Monolayer as an Anode Material for Metal-Ion Batteries

article published in 2018

Modeling of configurations and third-order nonlinear optical properties of methyl silsesquioxanes

scientific article published on 01 May 2005

Molecule–substrate interaction channels of metal-phthalocyanines on graphene on Ni(111) surface

scientific article published on 01 March 2011

Oligothiophene-Bridged Bis(arylene ethynylene) Small Molecules for Solution-Processible Organic Solar Cells with High Open-Circuit Voltage

article

Perylenequinonoid-Catalyzed [4 + 1] and [4 + 2] Annulations of Azoalkenes: Photocatalytic Access to 1,2,3-Thiadiazole/1,4,5,6-Tetrahydropyridazine Derivatives

scientific article published on 31 May 2019

Perylenequinonoid-catalyzed photoredox activation for the direct arylation of (het)arenes with sunlight

scientific article published on 01 April 2019

Se2(B2O7): a new type of second-order NLO material

scientific article published on 01 June 2006

Starburst Triarylamine Donor-Based Metal-Free Photosensitizers for Photocatalytic Hydrogen Production from Water.

scientific article

Surface passivation-induced strong ferromagnetism of zinc oxide nanowires

scientific article published on 01 November 2010

Synthesis, structure, and photophysics of copper(i) triphenylphosphine complexes with functionalized 3-(2'-pyrimidinyl)-1,2,4-triazole ligands

scientific article published on 25 September 2017

Theoretical study of two-photon absorption in donor-acceptor chromophores tetraalkylammonium halide/carbon tetrabromide

scientific article published on 01 August 2006

List of works by Shuping Huang