Materials Chemistry Centre

1
Materials Chemistry Centre (SRIF-2 2.5m
2004) Chemistry - Chemical Engineering -
(Birkbeck IMG) - DFRL/RI
1000 m2 3rd floor and basement- Christopher
Ingold building ( DFRL)
UCL - Chemistry Design, creation of new materials
and processes computational thin films sensors
precursors chemical magnetism amorphous CVD
nanomaterials extreme P-T conditions
UCL - Chemical Engineering Reactors and
processing reactors process design catalysis
high-throughput CVD active coatings sensors
magnetic materials
DFRL catalysis, microporous solids, magnetism
XRD/EXAFS computation large facilities microporo
us materials nanoparticles magnetic materials
catalysis
Birkbeck-IMG in situ X-ray synthesis/processing a
dvanced ceramics cements in situ
characterisation processing synchrotron X-ray
computational
2
Paul F. McMillan (UCL/RI) high pressure,
spectroscopy, synchrotron X-ray,
amorphous materials, biomaterials Ivan Parkin
(UCL Chem) "active" thin films on glass CVD
sensors bioactive coatings Paul
Barnes (Bbk IMG/UCL) synchrotron X-ray
tomography cements, ceramics,
pharmaceuticals processing Richard Catlow
(UCL/RI) computational catalysis synchrotron
porous materials Asterios Gavriilides
(ChemEng) catalysis microfabricated reactors
in situ studies Claire Carmalt (Chem)
organometallic precursors for CVD Nora de Leeuw
(UCL/Bbk) computational biomaterials
geomaterials Gopinathan Sankar (RI/CCLRC)
catalysis synchrotron X-ray porous
solids George Manos (ChemEng) catalysis in
situ studies reactors Andrew Wills (Chem)
chemical magnetism neutron/muon Jeremy
Cockcroft (UCL/Bbk) X-ray characterisation
synchrotron/lab methods Andrea Sella (Chem)
synthesis luminescent materials
nanoparticles Graeme Hogarth (Chem)
homogeneous catalysis organometallic
chemistry Peter Coveney (Chem) visualisation
large-scale computing Jawwad Darr (Chem) high
throuput "green" materials ceramics Furio
Cora (Chem) computational electronic
materials Rob Bell (Chem) computational
porous solids catalysis
3
MCC New grants (2005-06) Examples
CRA Catlow, P. Barnes, PF McMillan "Synthesis,
Design and Function in New Materials Chemistry".
EPSRC Portfolio Partnership EP/D504872 2.97 m
(1.4.05-30.4.10).
I. P. Parkin EPSRC Project Grant 2003-7
(WO3 sensors and films) 276,000 MICS EU
grant 370,000 Nanotechnology
grant 40,000 EPSRC follow on grant
(2005-6) 51,000 EPSRC Nanotechnology
TEM (2005-9) (IPP and PFM are co-Is)
2,314,567 Pilkington CASE award (2004-7)
72,100 EPSRC-DTI (2005)
25,000 EPSRC Project Grant- Selenide coatings
(CJC co-I) (2004-7) 82,000 EPSRC Project
Grant (2006) 410,000 EPSRC Project Grant
(2007) 450,000
4
Jacques SDM, Pile K, Barnes P, Lai X, Roberts
K.J, Williams RA, (2005) An in-situ synchrotron
X-ray diffraction tomography study of
crystallization and preferred crystal orientation
in a stirred reactor. Crystal Growth Design 5,
395-397 Blue JB, Carmalt CJ, ONeill SA, Parkin
IP, White AJP, Williams DJ (2005) Molecular
precursors for the CVD of niobium and tantalum
nitride. Polyhedron 24, 463-468 Shaw GA, Pratt
KE, Parkin IP, Williams DE (2005) Control of
semiconducting oxide gas sensors by applied
external electric fields. J. Mater. Chem., 15,
149-154 Manning TD, Qureshi U, Blackman C,
Parkin IP (2005) APCVD of thermochromic vanadium
dioxide thin films-solid solutions V2-xMxO2 (M
Mo, Nb) or composites VO2 SnO2. J. Mater. Chem.
15, (42), 4560-4566 Carmalt CJ, Blue G, Newport
A, Parkin IP (2005) Synthesis of Titanium(IV)
Guanidinate Complexes and the Formation of
Titanium Carbonitride via Low-Pressure Chemical
Vapor Deposition. Inorg. Chem. 44,
615-619 Parkin IP , Palgrave R (2005)
Self-cleaning coatings. J. Mater. Chem. 15,
1689-1695 Soignard E, Machon D, McMillan PF,
Dong J, Xu B, Leinenweber K (2005)
Spinel-structured gallium oxynitride (Ga3O3N) An
experimental and theoretical study. Chem Mater,
17, 5465-5472 Parkin IP, Palgrave R (2006)
Aerosol assisted chemical vapour deposition
using nanoparticle precursors a route to
nanocomposite thin films. J. Am. Chem. Soc., 128,
1587-97 Jacques SDM, Leynaud O, Strusevich D,
Beale AM, Sankar G, Martin CM, Barnes P, (2006)
Redox behavior of Fe-Mo-O Catalysts studied by
ultrarapid in situ diffraction. Angewandte Chemie
45, 445 448 Hector AL, Jackson AW, McMillan PF,
Shebanova O (2006) Amorphous and nanocrystalline
titanium nitride and carbonitride materials
obtained by solution phase ammonolysis of
Ti(NMe2)4. J Solid State Chem, 179,
1383-1393 Tang X, Dong J, Hutchins P, Shebanova
O, Gryko J, Barnes P, Cockcroft JK, Vickers M,
McMillan PF (2006) Thermal properties of the
type-II clathrate polymorph of silicon (Si136) a
theoretical and experimental study. Phys. Rev. B,
74, 014109 Brocher N, Parkin IP, Blackman C
(2006) APCVD of WSe2 films on glass- highly
hydrophobic sticky surfaces. J. Mater. Chem., 16,
122-7 Cao E, Firth S, McMillan PF, Gavriilides A
(2007) Application of microfabricated reactors
for in operando Raman studies in catalytic
oxidation of methanol to formaldehyde on silver.
Catalysis Today, in press
5
(No Transcript)
6
(No Transcript)
7
(No Transcript)
8
(No Transcript)
9
Catalysis
adipic acid (nylon)
hexane
O2
Prof. G. Sankar (RI/Daresbury Lab) Prof. C.R.A.
Catlow (RI/UCL)
Synthesis - microporous solids In situ studies
synchrotron X-ray Theory - structure prediction
Pr. Asterios Gavriliides, G. Manos Chemical
Engineering Prof. W. Motherwell, Dr. G. Hogarth
Chemistry
Microreactors Benzyl alkyl oxidation
10
(No Transcript)
11
(No Transcript)
12
(No Transcript)
13
Dr. Claire Carmalt Organometallic
chemistry Single source precursors Chemical
vapour deposition gallium oxides, nitrides,
transition metal sulphides
600oC
TiNx films
EPSRC

• Prof. I. Parkin
• Chemical vapour deposition
• "active" thin films self-cleaning glass
• thermo-chromic, thermo-reflective coatings
• sensors nanoparticles (biology, medicine)
• SHS combustion synthesis magnetic
• 
  nanoparticles

WO3-x
WO3
EPSRC, DTI, industry
14
Industrial Materials Group Prof. P. Barnes Dr.
J.K. Cockcroft, Dr. N. de Leeuw In situ studies
of materials during function and formation
synchrotron X-ray diffraction and imaging
computational materials science
Growth of zeolite membranes (catalytic convertors
reduction/oxidation of Fe-Mo-O catalyst
Brownmillerite Ca-Al-Fe-O cements deep oilwell
operations
Portfolio Partnership
15
Chemical Magnetism (Dr. Mark Green (RI/UCL)),
Andrew Wills, Prof. Steve Bramwell, Prof. G.
Aeppli (LCN/Physics), Prof. Des McMorrow
(Physics/Rutherford)
(La,Sr)2CuO4
NaxCoO2yH2O
(La,Sr)O2
Na - (H2O)
CuO2
CoO2
New superconductors hydrated Co oxides
Charge ordered transition metal oxides mixed
valent d0/d1 systems e.g., Nb24Nb105O29
New CMR/GMR materials for magnetic recording
spin glasses magnetic transitions
16
Science under Extreme Conditions (High P, High
T) PFM (UCL-RI)
High-P,T Synthesis
thermoelectrics superhard wide bandgap
"B6O B6N B13C2 - B4C
Icosahedral Borides
High-Pressure Biology
CxNy Layered Graphenes
Si,Ge nanoparticles
Diamond Anvil Cell
semiconductor clathrates
Nitride spinels
Portfolio Partnership
17
Large-Scale Simulations - VisualisationClay-Polym
er Nanocomposites
Prof. P.V. Coveney

• Aluminosilicate clay sheets carry negative
  charge.
• Charge-balanced by cations e.g. Na, K.
• Water of hydration also present.
• Nano-scale clay sheets dispersed within a
  polymer
• As "tactoids"
• With the polymer intercalated
• Exfoliated

very large simulation super-cells 350,840
atoms 28nm X 50nm X 3nm)
observe undulations in amine-clay composites
18
(No Transcript)