prof xiao guo
Contacts
- Prof
- Xiao
- Guo
- Prof Xiao Guo
- Ex: 27527
- z.x.guo@ucl.ac.uk
- https://iris.ucl.ac.uk/iris/extResource/image/01/ZXGUO56
- 2007-09-15
Appointment
- ACAPRO
- 2007-09-15
- 1
- Professor of Chemistry
- ME
- Dept of Chemistry
- MPS
- Faculty of Maths & Physical Sciences
Joined UCL
- 2007-09-15
Research Summary
Our research focuses on multiscale syntheses and simulations of nanostructures and materials for energy/hydrogen generation, storage, energy catalysis, biofuel cells and biointerfaces. Fundamental theories are coupled with ab initio, molecular dynamics, cellular automata and finite element simulations for materials design and discovery, while selected materials are synthesised by mechanochemical alloying, self-assembly, deposition and precipitation methods. Materials systems cover clusters, metals, hydrides, oxides, metal-doped carbon nanostructures, and functional hybrid systems that show desirable properties for clean energy and biomedical applications.Research Activities
- 3924
- Chemical Synthesis of Cathode Materials for High Power Density Li-Ion Batteries
- 3884
- Electronic Simulations of H 2 /CO 2/H 2O Interactions with Nanostructures
- 3904
- Integration of Hydrogen Storage Materials into Power Systems
- 4004
- Molecular Dynamics Simulations of Biointerfaces
- 3964
- Molecular Dynamics Simulations of Electrodes and Enzymes in Biofuel Cells
- 3864
- Predictive Design and Synthesis of Hydrogen Storage Materials and Nanostructures
- 3984
- Self-Assembly for Surface Coatings of Improved Biocompatibility
- 3944
- Synthesis and Modifications of Electrode Materials for Biological Fuel Cells
1 - 10 of 124 Publications
Structural, energetic and thermodynamic analyses of Ca(BH 4) 2ยท2NH 3 from first principles calculations
Journal article
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High inertness of W@Si 12 cluster toward O 2 molecule
Journal article
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Publisher: PERGAMON-ELSEVIER SCIENCE LTD
Calcium-Based Functionalization of Carbon Materials for CO2 Capture: A First-Principles Computational Study
Journal article
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Publisher: AMER CHEMICAL SOC
Effect of nitride additives on Li-N-H hydrogen storage system
Journal article
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Publisher: PERGAMON-ELSEVIER SCIENCE LTD
Multinuclear Zinc Pentafluorobenzene Carboxylates: Synthesis, Characterization, and Hydrogen Storage Capability
Journal article
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Publisher: AMER CHEMICAL SOC
Enhancement of H-2 uptake via fluorination but not lithiation for Zn4N8 and Zn4N6O type clusters
Journal article
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Publisher: ROYAL SOC CHEMISTRY
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Publisher: AMER PHYSICAL SOC
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Publisher: ELSEVIER SCIENCE BV
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Publisher: PERGAMON-ELSEVIER SCIENCE LTD
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Additional Information
- CMR
- CO2 capture and conversion
- Energy materials
- Energy nanostructures
- Energy storage
- Multiscale simulations
- Surfaces and interfaces
- Synthesis and processing
- hydrogen storage, generation and delivery

