| 國立臺灣科技大學 |
2020 |
Enhanced moisture stability of cesium lead iodide perovskite solar cells-a first-principles molecular dynamics study
|
Busipalli, D.L.;Lin, K.-Y.;Nachimuthu, S.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2020 |
The effect of edge termination on Li+ ion adsorption of pristine and defected graphene sheets
|
Shanmugam, Shanmugam S.;Nachimuthu, S.;Subramaniam, V. |
| 國立臺灣科技大學 |
2020 |
Computational study of metal ions adsorption on pristine and heteroatom doped peritetracene
|
Shanmugam, Shanmugam S.;Nachimuthu, S.;Subramaniam, V. |
| 國立臺灣科技大學 |
2020 |
In situ spectroscopic and theoretical investigation of methane activation on IrO2 nanoparticles: Role of Ir oxidation state on C-H activation
|
Liu, Y.-C.;Yeh, C.-H.;Lo, Y.-F.;Nachimuthu, S.;Lin, S.D.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2019 |
A first principles study of CO oxidation over gold clusters: The catalytic role of boron nitride support and water
|
Fu, S.-E.;Yeh, C.-H.;Lin, P.-J.;Nachimuthu, S.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2019 |
Effects of Electric Field on the Performance of Graphene-Based Counter Electrodes for Dye-Sensitized Solar Cells: A Theoretical Study
|
Lin, K.-Y.;Nachimuthu, S.;Nguyen, M.T.;Mizuta, H.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2019 |
Theoretical Study of Electrochemical and Electrochromic Properties of Novel Viologen Derivatives: Effects of Donors and π-Conjugation
|
Nachimuthu, S.;Shie, W.-R.;Liaw, D.-J.;Romashko, Romashko R.V.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2019 |
Effect of External Electric Field on Methane Conversion on IrO2(110) Surface: A Density Functional Theory Study
|
Yeh, C.-H.;Pham, T.M.L.;Nachimuthu, S.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2019 |
Understanding the role of dopant metal atoms on the structural and electronic properties of lithium-rich Li1.2Ni0.2Mn0.6O2 cathode material for lithium-ion batteries
|
Lo, W.-T.;Yu, C.;Leggesse, E.G.;Nachimuthu, S.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2019 |
DFT study of adsorption of ions on doped and defective graphene
|
Shanmugam, Shanmugam S.;Nachimuthu, S.;Subramaniam, V. |
| 國立臺灣科技大學 |
2019 |
Theoretical study on halide and mixed halide Perovskite solar cells: Effects of halide atoms on the stability and electronic properties
|
Busipalli, D.L.;Nachimuthu, S.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2018 |
Temperature-programmed desorption studies of NH3 and H2O on the RuO2(110) surface: Effects of adsorbate diffusion
|
Wang K.-T.; Nachimuthu S.; Jiang J.-C. |
| 國立臺灣科技大學 |
2018 |
Electronic and optical properties of edge modified peritetracene: a DFT study
|
Shanmugam S.; Nachimuthu S.; Subramaniam V. |
| 國立臺灣科技大學 |
2017 |
A DFT study of ethane activation on IrO2(110) surface by precursor-mediated mechanism
|
Pham, T.L.M;Nachimuthu, S;Kuo, J.-L;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2017 |
New Insights into Organic Dye Regeneration Mechanism in Dye-Sensitized Solar Cells: A Theoretical Study
|
Hailu, Y.M.;Shie, W.-R.;Nachimuthu, S.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2017 |
Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells
|
Chen, W.-C.;Nachimuthu, S.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2017 |
Theoretical study on photochemistry of Irgacure 907
|
Leggesse, E.G.;Tong, W.-R.;Nachimuthu, S.;Chen, T.-Y.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2017 |
An Experimental Study on the Reduction Kinetics of Iron Titanium Based Oxygen Carriers with CO Validated by First Principle Calculations
|
Liu Y.-C.; Nachimuthu S.; Tsau K.-H.; Ku Y.; Jiang J.-C. |
| 國立臺灣科技大學 |
2016 |
First principles study of organic sensitizers for dye sensitized solar cells: Effects of anchoring groups on optoelectronic properties and dye aggregation
|
Nachimuthu, S.;Chen, W.-C.;Leggesse, E.G.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2016 |
A DFT study of ethanol adsorption and decomposition on α-Al2O3(0 0 0 1) surface
|
Chiang, H.-N;Nachimuthu, S;Cheng, Y.-C;Damayanti, N.P;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2016 |
Theoretical Study of the Reductive Decomposition of Vinylethylene Sulfite as an Additive in Lithium Ion Battery
|
Leggesse, E.G;Wei, T.-Y;Nachimuthu, S;Jiang, Jiang J.C. |
| 國立臺灣科技大學 |
2016 |
Adsorption and Decomposition of Ethylene Carbonate on LiMn2O4 Cathode Surface
|
Leggesse, E.G;Tsau, K.-H;Liu, Y.-T;Nachimuthu, S;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2016 |
Reduction mechanism of iron titanium based oxygen carriers with H2 for chemical looping applications-a combined experimental and theoretical study
|
Liu, Y.-C;Nachimuthu, S;Chuang, Y.-C;Ku, Y;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2015 |
A first principles study of H2S adsorption and decomposition on a Ge(100) surface
|
Teng, T.-F.;Nachimuthu, S.;Hung, W.-H.;Jiang, J.-C. |
| 國立臺灣科技大學 |
2015 |
A First Principles study on Boron-doped Graphene decorated by Ni-Ti-Mg atoms for Enhanced Hydrogen Storage Performance
|
Nachimuthu, S.;Lai, P.-J.;Leggesse, E.G.;Jiang, Jiang J.-C. |
| 國立臺灣科技大學 |
2014 |
Nitrogen and sulfur compounds in atmospheric aerosols: A new parametrization of polarized molecular orbital model chemistry and its validation against converged CCSD(T) calculations for large clusters
|
Fiedler, L.;Leverentz, H.R.;Nachimuthu, S.;Friedrich, J.;Truhlar, D.G. |
| 國立臺灣科技大學 |
2014 |
Theoretical study on molecular design and optical properties of organic sensitizers
|
Nachimuthu, S.;Lai, K.-H.;Taufany, F.;Jiang, J.-C. |
| 國立臺灣科技大學 |
2014 |
Theoretical studies on effective metal-to-ligand charge transfer characteristics of novel ruthenium dyes for dye sensitized solar cells
|
Wang, H.-T.;Taufany, F.;Nachimuthu, S.;Jiang, J.-C. |
| 國立臺灣科技大學 |
2014 |
Design strategies of metal free-organic sensitizers for dye sensitized solar cells: Role of donor and acceptor monomers
|
Tseng, C.-Y.;Taufany, F.;Nachimuthu, S.;Jiang, J.-C.;Liaw, D.-J. |
| 國立臺灣科技大學 |
2014 |
Efficient hydrogen storage in boron doped graphene decorated by transition metals - A first-principles study
|
Nachimuthu, S.;Lai, P.-J.;Jiang, J.-C. |
