Computational study of molecular properties with dual basis sets

by Chwee, T.S., Lim, G.S., Fan, W.Y., Sullivan, M.B.
Published 2014

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

by Hui, Y.H., Kian, P.L., Sullivan, M.B., Wu, P.
Published 2014

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

by Shen, L., Zeng, M., Li, S., Sullivan, M.B., Feng, Y.P.
Published 2014

First-principles study of silicon nanowire approaching the bulk limit

by Ng, M.-F., Sullivan, M.B., Tong, S.W., Wu, P.
Published 2014

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

by Zhang, J., Loh, K.P., Zheng, J., Sullivan, M.B., Wu, P.
Published 2014

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

by Ramalingam, B, Sana, B, Seayad, J, Ghadessy, F.J, Sullivan, M.B
Published 2020

Chemisorption-induced polarization of boron nitride nanotube

by Zhang, J., Loh, K.P., Wu, P., Sullivan, M.B., Zheng, J.
Published 2014

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

by Yeo, P.S.E., Sullivan, M.B., Loh, K.P., Gan, C.K.
Published 2014

Transparent conducting properties of SrSnO3 and ZnSnO3

by Ong, K.P, Fan, X:, Subedi, A, Sullivan, M.B, Singh, D.J
Published 2020

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

by Zhang, X., Loh, K.P., Sullivan, M.B., Chen, Z.-K., Liu, M.
Published 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

by Shen, L., Jin, H., Ligatchev, V., Yang, S.-W., Sullivan, M.B., Feng, Y.
Published 2014

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

by Zhang, J., Sullivan, M.B., Zheng, J.W., Loh, K.P., Wu, P.
Published 2014

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

by Hoh, H.Y., Ouyang, T., Sullivan, M.B., Wu, P., Nesladek, M., Loh, K.P.
Published 2014

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

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

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

by Fan, Z., Wang, J., Sullivan, M.B., Huan, A., Singh, D.J., Ong, K.P.
Published 2014

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

by Zhou, L., Yang, S.-W., Ng, M.-F., Sullivan, M.B., Tan, V.B.C., Shen, L.
Published 2014

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

by Colangelo, E, Chen, Q, Davidson, A.M, Paramelle, D, Sullivan, M.B, Volk, M, Lévy, R
Published 2020

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

by Glowatzki, H., Sonar, P., Singh, S.P., Mak, A.M., Sullivan, M.B., Chen, W., Wee, A.T.S., Dodabalapur, A.
Published 2014

Step flow versus mosaic film growth in hexagonal boron nitride

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

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

by 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
Published 2020