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• Enhanced Surface Ligands Reactivity of Metal Clusters by Bulky Ligands for Controlling Optical and Chiral Properties 

  Deng, Guocheng; Malola, Sami; Yuan, Peng; Liu, Xianhu; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng (Wiley, 2021)

  Surface ligands play critical roles in determining the surface properties of metal clusters. However, modulating the properties and controlling the surface structure of clusters through surface‐capping agent displacement ...

• A Homoleptic Alkynyl‐Ligated [Au13Ag16L24]3‐ Cluster as a Catalytically Active Eight‐Electron Superatom 

  Li, Gao; Hakkinen, Hannu; Qin, Zhaoxian; Sharma, Sachil; Wan, Chong-qing; Xu, Wen-wu; Malola, Sami (Wiley, 2021)

  A brand new alkynylated cluster [Au 13 Ag 16 (C 10 H 6 NO) 24 ] 3- is prepared by NaBH 4 mediated reduction method. The AuAg clusters are confirmed by various sophisticated characterization techniques. It manifested the ...

• Electronic structure calculations of aluminum and sodium clusters 

  Akola, Jaakko (2000)

  This thesis is a review of five publications, where small and medium-sized (N ≤ 102) aluminum and sodium clusters and their electronic structure are studied using a first-principles simulation method. The initial motivation ...

• Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal–organic clusters 

  Makkonen, Esko; Rossi, Tuomas P.; Larsen, Ask Hjorth; Lopez-Acevedo, Olga; Rinke, Patrick; Kuisma, Mikael; Chen, Xi (AIP Publishing, 2021)

  Electronic circular dichroism (ECD) is a powerful spectroscopy method for investigating chiral properties at the molecular level. ECD calculations with the commonly used linear-response time-dependent density functional ...

• Mechanical and optical properties of as-grown and thermally annealed titanium dioxide from titanium tetrachloride and water by atomic layer deposition 

  Ylivaara, Oili M.E.; Langner, Andreas; Liu, Xuwen; Schneider, Dieter; Julin, Jaakko; Arstila, Kai; Sintonen, Sakari; Ali, Saima; Lipsanen, Harri; Sajavaara, Timo; Hannula, Simo-Pekka; Puurunen, Riikka L. (Elsevier, 2021)

  The use of thin-films made by atomic layer deposition (ALD) is rapidly growing in the field of optical sensing. ALD TiO2 has been widely characterized for its physical and optical properties, but systematic information ...