List of works - Xiaoming Cao

A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2

scientific article published in 2012

A fast species redistribution approach to accelerate the kinetic Monte Carlo simulation for heterogeneous catalysis

scientific article published on 01 April 2020

A retrievable and highly selective fluorescent probe for monitoring dihydrogen phosphate ions based on a naphthalimide framework.

scientific article published on 30 May 2013

Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials

scientific article published on 08 June 2021

Amorphous Metal-Free Room-Temperature Phosphorescent Small Molecules with Multicolor Photoluminescence via a Host-Guest and Dual-Emission Strategy

scientific article

Bridge- and solvent-mediated intramolecular electronic communications in ubiquinone-based biomolecular wires.

scientific article published on 21 May 2015

Dealuminated Beta zeolite reverses Ostwald ripening for durable copper nanoparticle catalysts

scientific article published on 21 December 2023

Dendrimer-mediated hydrothermal synthesis of ultrathin gold nanowires

scientific article

Density functional theory study on the activation of molecular oxygen on a stepped gold surface in an aqueous environment: a new approach for simulating reactions in solution

scientific article published on 01 March 2014

Enhancing Metal-Support Interactions by Molybdenum Carbide: An Efficient Strategy toward the Chemoselective Hydrogenation of α,β-Unsaturated Aldehydes.

scientific article published on 2 March 2016

Evidence to challenge the universality of the Horiuti-Polanyi mechanism for hydrogenation in heterogeneous catalysis: origin and trend of the preference of a non-Horiuti-Polanyi mechanism

scientific article published on 27 September 2013

Heavy-atom-free amorphous materials with facile preparation and efficient room-temperature phosphorescence emission

scientific article published on 17 April 2019

Hydrogen-Bonded Mesoporous Frameworks with Tunable Pore Sizes and Architectures from Nanocluster Assembly Units

scientific article published on 25 June 2024

Identifying the trend of reactivity for sp2 materials: an electron delocalization model from first principles calculations.

scientific article published on 20 May 2013

Interface-tuned selective reductive coupling of nitroarenes to aromatic azo and azoxy: a first-principles-based microkinetics study

scientific article published on 31 May 2019

Local Hybrid Divide-and-Conquer Method for the Computation of Medium and Large Molecules

scientific article published in December 2008

Origin of low CO2 selectivity on platinum in the direct ethanol fuel cell.

scientific article

Pumping a Ring-Sliding Molecular Motion by a Light-Powered Molecular Motor

scientific article published on 24 April 2019

Ultralow-temperature CO oxidation on an In2O3-Co3O4 catalyst: a strategy to tune CO adsorption strength and oxygen activation simultaneously

scientific article published in July 2014

Visible-Light-Driven Valorization of Biomass Intermediates Integrated with H2 Production Catalyzed by Ultrathin Ni/CdS Nanosheets.

scientific article published on 11 October 2017

White-light emission from a single organic compound with unique self-folded conformation and multistimuli responsiveness

scientific article published on 21 May 2018

List of works by Xiaoming Cao

A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2

A fast species redistribution approach to accelerate the kinetic Monte Carlo simulation for heterogeneous catalysis

A retrievable and highly selective fluorescent probe for monitoring dihydrogen phosphate ions based on a naphthalimide framework.

Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials

Amorphous Metal-Free Room-Temperature Phosphorescent Small Molecules with Multicolor Photoluminescence via a Host-Guest and Dual-Emission Strategy

Bridge- and solvent-mediated intramolecular electronic communications in ubiquinone-based biomolecular wires.

Dealuminated Beta zeolite reverses Ostwald ripening for durable copper nanoparticle catalysts

Dendrimer-mediated hydrothermal synthesis of ultrathin gold nanowires

Density functional theory study on the activation of molecular oxygen on a stepped gold surface in an aqueous environment: a new approach for simulating reactions in solution

Enhancing Metal-Support Interactions by Molybdenum Carbide: An Efficient Strategy toward the Chemoselective Hydrogenation of α,β-Unsaturated Aldehydes.

Evidence to challenge the universality of the Horiuti-Polanyi mechanism for hydrogenation in heterogeneous catalysis: origin and trend of the preference of a non-Horiuti-Polanyi mechanism

Heavy-atom-free amorphous materials with facile preparation and efficient room-temperature phosphorescence emission

Hydrogen-Bonded Mesoporous Frameworks with Tunable Pore Sizes and Architectures from Nanocluster Assembly Units

Identifying the trend of reactivity for sp2 materials: an electron delocalization model from first principles calculations.

Interface-tuned selective reductive coupling of nitroarenes to aromatic azo and azoxy: a first-principles-based microkinetics study

Local Hybrid Divide-and-Conquer Method for the Computation of Medium and Large Molecules

Origin of low CO2 selectivity on platinum in the direct ethanol fuel cell.

Pumping a Ring-Sliding Molecular Motion by a Light-Powered Molecular Motor

Ultralow-temperature CO oxidation on an In2O3-Co3O4 catalyst: a strategy to tune CO adsorption strength and oxygen activation simultaneously

Visible-Light-Driven Valorization of Biomass Intermediates Integrated with H2 Production Catalyzed by Ultrathin Ni/CdS Nanosheets.

White-light emission from a single organic compound with unique self-folded conformation and multistimuli responsiveness