Computational study of molecular properties with dual basis sets

بواسطة Chwee, T.S., Lim, G.S., Fan, W.Y., Sullivan, M.B.
منشور في 2014

Spatial effect of C-H dipoles on the electron affinity of diamond (100)-2 x 1 adsorbed with organic molecules

بواسطة Hui, Y.H., Kian, P.L., Sullivan, M.B., Wu, P.
منشور في 2014

First-principles study of silicon nanowire approaching the bulk limit

بواسطة Ng, M.-F., Sullivan, M.B., Tong, S.W., Wu, P.
منشور في 2014

Electron transmission modes in electrically biased graphene nanoribbons and their effects on device performance

بواسطة Shen, L., Zeng, M., Li, S., Sullivan, M.B., Feng, Y.P.
منشور في 2014

First-principles study of the thermoelectric properties of strained graphene nanoribbons

بواسطة Yeo, P.S.E., Sullivan, M.B., Loh, K.P., Gan, C.K.
منشور في 2014

Towards understanding of laccase-catalysed oxidative oligomerisation of dimeric lignin model compounds

بواسطة Ramalingam, B, Sana, B, Seayad, J, Ghadessy, F.J, Sullivan, M.B
منشور في 2020

Chemisorption-induced polarization of boron nitride nanotube

بواسطة Zhang, J., Loh, K.P., Wu, P., Sullivan, M.B., Zheng, J.
منشور في 2014

Adsorption of molecular oxygen on the walls of pristine and carbon-doped (5,5) boron nitride nanotubes: Spin-polarized density functional study

بواسطة Zhang, J., Loh, K.P., Zheng, J., Sullivan, M.B., Wu, P.
منشور في 2014

Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules Vn(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire

بواسطة Shen, L., Jin, H., Ligatchev, V., Yang, S.-W., Sullivan, M.B., Feng, Y.
منشور في 2014

Aggregation dependent S1 and S2 dual emissions of thiophene-acrylonitrile- carbazole oligomer

بواسطة Zhang, X., Loh, K.P., Sullivan, M.B., Chen, Z.-K., Liu, M.
منشور في 2014

Transparent conducting properties of SrSnO3 and ZnSnO3

بواسطة Ong, K.P, Fan, X:, Subedi, A, Sullivan, M.B, Singh, D.J
منشور في 2020

Theoretical study on polyimide-Cu(100)/Ni(100) adhesion

بواسطة Zhang, J., Sullivan, M.B., Zheng, J.W., Loh, K.P., Wu, P.
منشور في 2014

A HREELS and DFT study of the adsorption of aromatic hydrocarbons on diamond (111)

بواسطة Hoh, H.Y., Ouyang, T., Sullivan, M.B., Wu, P., Nesladek, M., Loh, K.P.
منشور في 2014

Structural instability of epitaxial (001) BiFeO3 thin films under tensile strain

بواسطة Fan, Z., Wang, J., Sullivan, M.B., Huan, A., Singh, D.J., Ong, K.P.
منشور في 2014

EPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations

بواسطة Deng, T., Wu, G., Sullivan, M.B., Wong, Z.M., Hippalgaonkar, K., Wang, J.-S., Yang, S.-W.
منشور في 2021

One-dimensional iron-cyclopentadienyl sandwich molecular wire with half metallic, negative differential resistance and high-spin filter efficiency properties

بواسطة Zhou, L., Yang, S.-W., Ng, M.-F., Sullivan, M.B., Tan, V.B.C., Shen, L.
منشور في 2014

Computational and Experimental Investigation of the Structure of Peptide Monolayers on Gold Nanoparticles

بواسطة Colangelo, E, Chen, Q, Davidson, A.M, Paramelle, D, Sullivan, M.B, Volk, M, Lévy, R
منشور في 2020

Band gap tunable N-type molecules for organic field effect transistors

بواسطة Glowatzki, H., Sonar, P., Singh, S.P., Mak, A.M., Sullivan, M.B., Chen, W., Wee, A.T.S., Dodabalapur, A.
منشور في 2014

Step flow versus mosaic film growth in hexagonal boron nitride

بواسطة Lu, J., Yeo, P.S.E., Zheng, Y., Xu, H., Gan, C.K., Sullivan, M.B., Castro Neto, A.H., Loh, K.P.
منشور في 2014

Building better lithium-sulfur batteries: From LiNO2 to solid oxide catalyst

بواسطة Ding, N, Zhou, L, Zhou, C, Geng, D, Yang, J, Chien, S.W, Liu, Z, Ng, M.-F, Yu, A, Hor, T.S.A, Sullivan, M.B, Zong, Y
منشور في 2020