Kok Hwa Lim

Publications

• A base-stabilized 2-silaallene
• A review on the electrochemical reduction of CO2 in fuel cells, metal electrodes and molecular catalysts
• Facile synthesis of graphene quantum dots from 3D graphene and their application for Fe3+ sensing
• Delocalized hypervalent silyl radical supported by amidinate and imino substituents
• Determination of solubility parameters of ionic liquids and ionic liquid/solvent mixtures from intrinsic viscosity
• Band-gap manipulations of monolayer graphene by phenyl radical adsorptions: A density functional theory study
• Water induced electrical hysteresis in germanium nanowires: A theoretical study
• Hydrogen bond and internal rotations barrier: DFT study on heavier group-14 analogues of formamide
• Synthesis and characterization of a singlet delocalized 2,4-diimino-1,3-disilacyclobutanediyl and a silylenylsilaimine
• The disappearance of the stable slightly-bent isomer of germasilaallenes and the appearance of its cyclic isomer
• Modulating the electronic properties of germanium nanowires via applied strain and surface passivation
• A Bis(germyliumylidene)silver(I) Complex Dication
• A base-stabilized lead(I) dimer and an aromatic plumbylidenide anion
• Structural requirements of salicylaldehyde benzoylhydrazones and their Cu(II) complexes for anticancer activity
• Oxygen vacancies in self-assemblies of ceria nanoparticles
• Theoretical studies on the structures, material properties, and IR spectra of polymorphs of 3,4-bis(1H-5-tetrazolyl)furoxan
• An amidinate-stabilized germatrisilacyclobutadiene ylide
• DFT Study of Steam Reforming of Formaldehyde on Cu, PdZn, and Ir
• Reactivity of a tin(II) (iminophosphinoyl)(thiophosphinoyl)methanediide complex toward sulfur: Synthesis and 119Sn Mössbauer spectroscopic studies of [{(μ-S) SnC(PPh 2=NSiMe 3)(PPh 2=S)} 3Sn(μ 3-S)]
• Influence of organic solvent on the separation of an ionic liquid from a lignin-ionic liquid mixture
• Scalable and effective enrichment of semiconducting single-walled carbon nanotubes by a dual selective naphthalene-based AzO dispersant
• Reactivity of an amidinato silylene and germylene toward germanium(ii), tin(ii) and lead(ii) halides
• CO adsorption behavior on decorated Pt@Au nanoelectrocatalysts: A combined experimental and DFT theoretical calculation Study
• A DFT study on the adsorption of formic acid and its oxidized intermediates on (100) facets of Pt, Au, monolayer and decorated Pt@Au surfaces
• Zwitterionic base-stabilized digermadistannacyclobutadiene and tetragermacyclobutadiene
• Distillable ionic liquids: Reversible amide OAlkylation
• DFT study of salicylaldehyde semicarbazone derivatives interaction with copper and the effect of aminic substituent
• Effects of strain on PdZn(1 0 0) for methoxide decomposition: A DFT study
• Stress induced half-metallicity in surface defected germanium nanowires
• Theoretical design and exploration of novel high energy density materials based on silicon
• Mild bromination-assisted density-gradient ultracentrifugation to sort single-walled carbon nanotubes by metallicity
• A smart upconversion-based light-triggered polymer for synergetic chemo-photodynamic therapy and dual-modal MR/UCL imaging
• Hydrogen bond nature in formamide (CYHNH2⋯XH; Y=O, S, Se, Te; X=F, HO, NH2) complexes at their ground and low-lying excited states
• Fluorescent quantum dots derived from PEDOT and their applications in optical imaging and sensing
• A silyliumylidene cation stabilized by an amidinate ligand and 4-dimethylaminopyridine
• Controlling armchair and zigzag edges in oxidative cutting of graphene
• Half metal↔semiconductor reversible switch in bimetallic sandwich molecular wire via redox reactions
• Predicting cetane numbers of hydrocarbons and oxygenates from highly accessible descriptors by using artificial neural networks
• Atomic carbon adsorption on Ni nanoclusters: A DFT study
• DNA binding and nucleolytic properties of Cu(II) complexes of salicylaldehyde semicarbazones
• Experimental and theoretical studies of Fe-doped TiO2 films prepared by peroxo sol-gel method
• Synthesis and characterization of an amidinate-stabilized siladithiocarboxylate and its germanium(II) complex
• Molybdenum phosphide as an efficient electrocatalyst for the hydrogen evolution reaction
• An extensive n, π, σ-electron delocalized Si4 ring
• Erratum: Distillable ionic liquids: Reversible amide o alkylation (Angewandte Chemie - International Edition (2013) 52 DOI: 10.1002/anie.201306476)
• Revealing the tunable photoluminescence properties of graphene quantum dots
• Copper(II) complexes of substituted salicylaldehyde dibenzyl semicarbazones: Synthesis, cytotoxicity and interaction with quadruplex DNA
• Synthesis and characterization of O-alkylated amidium ionic liquids
• Sorting of single-walled carbon nanotubes based on metallicity by selective precipitation with polyvinylpyrrolidone
• University engagement to improve safety education
• Modulation of the work function of silicon nanowire by chemical surface passivation: A DFT study
• Adsorption of formic acid and its decomposed intermediates on (100) surfaces of Pt and Pd: A density functional study
• Density functional study of the effects of strains on the adsorption of methoxide and its decomposed intermediates on Cu(100) surface
• Transparent visible light activated C-N-F-codoped TiO2 films for self-cleaning applications
• Density functional study of methoxide decomposition on PdZn(100)
• Destabilization of adsorbed CO on the Pd(1 1 1) surface by subsurface carbon: Density functional studies
• Hydrosilylation of a silicon(II) hydride: Synthesis and characterization of a remarkable silylsilylene
• Reactivity of a disilylene [{PhC(NBut)2}Si] 2 toward bromine: Synthesis and characterization of a stable monomeric bromosilylene
• Manipulating spin transport via vanadium-iron cyclopentadienyl multidecker sandwich molecules
• Theoretical study of germabutadienic internal rotations and π-conjugation
• Mechanism of selective hydrogenation of r, α, β-unsaturated aldehydes on silver catalysts: A density functional study
• Towards tuning of surface properties by atomic and molecular adsorption on boron-terminated cubic boron nitride (111) surface: A first-principles study
• Acrolein hydrogenation on silver catalysts: A density functional study of mechanism
• Hydrogen activation on silver: A computational study on surface and subsurface oxygen species
• Copper, gold and silver compounds as potential new anti-tumor metallodrugs
• Recent advances in catalysis-selected papers from APCAT 4 (Singapore, 6-8 December 2006)
• Half-metallic spintronic switch of bimetallic sandwich molecular wire via the control of external electrical field
• Selective small-diameter metallic single-walled carbon nanotube removal by mere standing with anthraquinone and application to a field-effect transistor
• A computational study of H2 dissociation on silver surfaces: The effect of oxygen in the added row structure of Ag(110)
• Theoretical studies of the conformers of rac-6,6′,7,7′-tetramethoxy-1,1′,2,2′,3,3′,4,4′-octahydro-1,1′-bisisoquinoline and its N-acyl and N-alkyl derivatives
• Synthesis and characterization of an amidinate-stabilized cis-1,2-disilylenylethene [cis-LSi{C(Ph)=C(H)}SiL] and a singlet delocalized biradicaloid [LSi(μ2-C2Ph2)2SiL]
• Synthesis and characterization of magnesium and aluminum bis(phosphoranyl)methanediide complexes
• CH3O decomposition on PdZn(111), Pd(111), and Cu(111). A theoretical study
• Microscopic models of PdZn alloy catalysts: Structure and reactivity in methanol decomposition
• Effect of steps on the decomposition of CH3O at PdZn alloy surfaces
• Gold atoms and dimers on amorphous SiO2: Calculation of optical properties and cavity ringdown spectroscopy measurements
• Comparative theoretical study of formaldehyde decomposition on PdZn, Cu, and Pd surfaces
• Effect of uniaxial strain on the electrical and magnetic property of a one-dimensional bimetallic sandwich molecular wire (FeCpVCp)∞
• Synthesis and characterization of a tin(II) bis(phosphinoyl)methanediide complex: A stannavinylidene derivative
• Adsorption of tetralin and hydrogenated intermediates and products on the (100) surfaces of Ir, Pt and Pd: A DFT study
• Adsorption of acrolein on single-crystal surfaces of silver: Density functional studies
• Optical absorption spectrum of gold atoms deposited on SiO 2 from cavity ringdown spectroscopy
• Modeling metal adsorption at amorphous silica: Gold atoms and dimers as example
• Surface composition of materials used as catalysts for methanol steam reforming: A theoretical study
• Steam reforming of formaldehyde on Cu(100) surface: A density functional study
• DFT/TDDFT Investigation on donor-acceptor triazole-based copolymers for organic photovoltaics
• Mono-, di-, tri- and tetra-silacyclobutenes: Strain energy, hyperconjugation and ring-opening reaction
• Application of process safety management principles to laboratory safety management