List of works - Xiaoqing Lu

Ab initio study of hydride abstraction reaction in the Mg+–NH2CH3 complex

scientific article published in November 2003

Achieving red/near-infrared mechanoresponsive luminescence turn-on: mechanically disturbed metastable nanostructures in organic solids.

scientific article published on 10 January 2017

Architecting a Mesoporous N-Doped Graphitic Carbon Framework Encapsulating CoTe2 as an Efficient Oxygen Evolution Electrocatalyst

scientific article

Competitive adsorption of a binary CO2-CH4 mixture in nanoporous carbons: effects of edge-functionalization

scientific article published in January 2015

Coupled Heterostructure of Mo-Fe Selenide Nanosheets Supported on Carbon Paper as an Integrated Electrocatalyst for Efficient Hydrogen Evolution

scientific article published on 09 August 2018

Decomposition of methanthiol on Pt(111): a density functional investigation.

scientific article published in July 2010

Dehydrogenation of methanol on Pd(100): comparison with the results of Pd(111)

scientific article published on 19 May 2010

Dithiafulvenyl Unit as a New Donor for High-Efficiency Dye-Sensitized Solar Cells: Synthesis and Demonstration of a Family of Metal-Free Organic Sensitizers

scientific article published on 12 April 2012

Electrochemical CO2 Reduction to C1 Products on Single Nickel/Cobalt/Iron-Doped Graphitic Carbon Nitride: A DFT Study

scientific article published on 14 November 2019

Ethanol decomposition on a Pd(110) surface: a density functional theory investigation

scientific article published on 01 February 2013

Experimental and computational studies of intracomplex reactions in Mg+(primary, secondary alkylamine) complexes induced by photoexcitation of Mg+.

scientific article published in October 2005

Initial Reduction of CO2 on Pd-, Ru-, and Cu-Doped CeO2(111) Surfaces: Effects of Surface Modification on Catalytic Activity and Selectivity.

scientific article published on 18 July 2017

Initial hydrogenations of pyridine on MoP(001): a density functional study

scientific article published on 02 February 2012

Label-free detection of 3-nitro-l-tyrosine with nickel-doped graphene localized surface plasmon resonance biosensor.

scientific article

Mechanistic insight into the gas-phase reactions of methylamine with ground state Co+(3F) and Ni+(2D)

scientific article published on 04 November 2010

Mechanistic insight into the hydrazine decomposition on Rh(111): effect of reaction intermediate on catalytic activity

scientific article published on 29 August 2013

Metal-organic framework MIL-53(Al) as a solid-phase microextraction adsorbent for the determination of 16 polycyclic aromatic hydrocarbons in water samples by gas chromatography-tandem mass spectrometry

scientific article published on 08 October 2012

Methanol Oxidation on Pt3Sn(111) for Direct Methanol Fuel Cells: Methanol Decomposition.

scientific article published on 27 April 2016

Micelles of Mesoporous Silica with Inserted Iron Complexes as a Platform for Constructing Efficient Electrocatalysts for Oxygen Reduction

scientific article published on 24 November 2020

On the gas-phase Co(+)-mediated oxidation of ethane by N2O: a mechanistic study

scientific article published on 15 March 2012

Reaction pathways of Sc+ (3D, 1D) and Fe+ (6D, 4F) with acetone in the gas phase: metal ion oxidation and acetone deethanization

scientific article published on 01 November 2012

Stimulus-responsive adsorbent materials for CO<sub>2</sub> capture and separation

scientific article published on 24 April 2020

Synthesis and Properties of Dithiafulvenyl Functionalized Spiro[fluorene-9,9'-xanthene] Molecules

scientific article published on 18 January 2018

The adsorption behaviour of CH4 on microporous carbons: effects of surface heterogeneity

scientific article published on 01 June 2014

The competitive O-H versus C-H bond activation of ethanol and methanol by VO2(+) in gas phase: a DFT study

scientific article published on 05 June 2013

The decisive effect of interface states on the photocatalytic activity of the silver(I) oxide/titanium dioxide heterojunction

scientific article published on 4 January 2017

Theoretical Analysis on Heteroleptic Cu(I)-Based Complexes for Dye-Sensitized Solar Cells: Effect of Anchors on Electronic Structure, Spectrum, Excitation, and Intramolecular and Interfacial Electron Transfer

scientific article published on 12 August 2020

Theoretical analysis of the absorption spectrum, electronic structure, excitation, and intramolecular electron transfer of D-A'-π-A porphyrin dyes for dye-sensitized solar cells

scientific article published on 24 June 2020

Theoretical analysis of the conversion mechanism of acetylene to ethylidyne on Pt(111)

scientific article published on 13 March 2012

Theoretical investigation of the Fe+-catalyzed oxidation of acetylene by N2O.

scientific article published on 31 May 2008

Theoretical investigation of the decarbonylation of acetaldehyde by Fe+ and Cr+

scientific article published on 01 June 2006

Theoretical investigation of the reaction of Mn+ with ethylene oxide

scientific article published on 22 December 2011

Theoretical study of T shaped phenothiazine/carbazole based organic dyes with naphthalimide as π-spacer for DSSCs

scientific article published on 27 February 2020

List of works by Xiaoqing Lu