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Computational Activated Materials Laboratory
Principal Investigator: Cynthia Lo
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Publications
Found 21 results
2013
Cheng, Z.
,
Sherman, B.J.
&
Lo, C.S.
Carbon dioxide activation and dissociation on ceria (110): A density functional theory study
.
The Journal of Chemical Physics
138
, 014702 (2013).
Cheng, Z.
&
Lo, C.S.
Effect of support structure and composition on the catalytic activity of Pt nanoclusters for methane dehydrogenation
.
Industrial & Engineering Chemistry Research
(2013).doi:10.1021/ie400776n
Niedzwiedzki, D.M.
,
Jiang, J.
,
Lo, C.S.
&
Blankenship, R.E.
Low-Temperature Spectroscopic Properties of the Peridinin–Chlorophyll
a
–Protein (PCP) Complex from the Coral Symbiotic Dinoflagellate
Symbiodinium
.
The Journal of Physical Chemistry B
(2013).doi:10.1021/jp401022u
Niedzwiedzki, D.M.
,
Jiang, J.
,
Lo, C.S.
&
Blankenship, R.E.
Spectroscopic properties of the Chlorophyll a–Chlorophyll c 2–Peridinin-Protein-Complex (acpPC) from the coral symbiotic dinoflagellate Symbiodinium
.
Photosynthesis Research
(2013).doi:10.1007/s11120-013-9794-5
2012
Jiang, J.
et al.
Characterization of the peridinin–chlorophyll a-protein complex in the dinoflagellate Symbiodinium
.
Biochimica et Biophysica Acta (BBA) - Bioenergetics
1817
, 983 - 989 (2012).
Stoica, M.
&
Lo, C.S.
Electrical transport properties of Co-based skutterudites filled with Ag and Au
.
Physical Review B
86
, 115211 (2012).
Cheng, Z.
&
Lo, C.S.
Formation of Active Sites on WO
3
Catalysts: A Density Functional Theory Study of Olefin Metathesis
.
ACS Catalysis
2
, 341 - 349 (2012).
Cheng, Z.
,
Fine, N.A.
&
Lo, C.S.
Platinum Nanoclusters Exhibit Enhanced Catalytic Activity for Methane Dehydrogenation
.
Topics in Catalysis
55
, 345 - 352 (2012).
2011
Jarvis, E.A.A.
&
Lo, C.S.
Computational Investigations of Metal Oxide Surfaces
.
Metallic Systems: A Quantum Chemist's Perspective
201-224 (2011).
Havran, V.
,
Duduković, M.P.
&
Lo, C.S.
Conversion of Methane and Carbon Dioxide to Higher Value Products
.
Industrial & Engineering Chemistry Research
50
, 7089 - 7100 (2011).
2010
Kovács, S.Á.
&
Lo, C.S.
Electronic structure and charge ordering in magnetite: implications for the Fe
3
O
4
(001)–water interface
.
Molecular Simulation
36
, 1289 - 1296 (2010).
Unrau, C.J.
,
Axelbaum, R.L.
&
Lo, C.S.
High-Yield Growth of Carbon Nanotubes on Composite Fe/Si/O Nanoparticle Catalysts: A Car−Parrinello Molecular Dynamics and Experimental Study
.
The Journal of Physical Chemistry C
114
, 10430 - 10435 (2010).
Zheng, X.
et al.
Oxygen and CO Adsorption on Au/SiO
2
Catalysts Prepared by Magnetron Sputtering: The Role of Oxygen Storage
.
Industrial & Engineering Chemistry Research
49
, 10428 - 10437 (2010).
2009
Thimsen, E.
,
Biswas, S.
,
Lo, C.S.
&
Biswas, P.
Predicting the Band Structure of Mixed Transition Metal Oxides: Theory and Experiment
.
The Journal of Physical Chemistry C
113
, 2014 - 2021 (2009).
Rycenga, M.
et al.
Probing the Photothermal Effect of Gold-Based Nanocages with Surface-Enhanced Raman Scattering (SERS)
.
Angewandte Chemie International Edition
48
, 9924 - 9927 (2009).
2008
Ghose, S.K.
et al.
Surface Structure and Reactivity of Iron Oxide-Water Interfaces
.
Adsorption of Metals by Geomedia II : Variables, Mechanisms, and Model Applications
1-30 (2008).
2007
Lo, C.S.
,
Tanwar, K.S.
,
Chaka, A.M.
&
Trainor, T.P.
Density functional theory study of the clean and hydrated hematite (11̅02) surfaces
.
Physical Review B
75
, 075425 (2007).
Tanwar, K.S.
et al.
Surface diffraction study of the hydrated hematite surface
.
Surface Science
601
, 460 - 474 (2007).
2005
Lo, C.S.
,
Radhakrishnan, R.
&
Trout, B.L.
Application of transition path sampling methods in catalysis: A new mechanism for C-C bond formation in the methanol coupling reaction in chabazite
.
Catalysis Today
105
, 93 - 105 (2005).
2004
Lo, C.S.
&
Trout, B.L.
Density-functional theory characterization of acid sites in chabazite
.
Journal of Catalysis
227
, 77 - 89 (2004).
Lo, C.S.
,
Giurumescu, C.A.
,
Radhakrishnan, R.
&
Trout, B.L.
Methanol coupling in the zeolite chabazite studied via Car–Parrinello molecular dynamics
.
Molecular Physics
102
, 281 - 288 (2004).
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