Relativistic DFT investigation of electronic structure effects arising from doping the Au25 nanocluster with transition metals

Au22Ir3(PET)18: An Unusual Alloy Cluster through Intercluster Reaction

(2017) Shridevi Bhat et al.   Journal of Physical Chemistry Letters

Thermodynamic stability of ligand-protected metal nanoclusters

(2017) Michael G. Taylor et al.   Nature Communications

Structures and magnetism of mono-palladium and mono-platinum doped Au25(PET)18 nanoclusters

(2016) Shubo Tian et al.   CHEMICAL COMMUNICATIONS

Atomically Precise Colloidal Metal Nanoclusters and Nanoparticles: Fundamentals and Opportunities

(2016) Rongchao Jin et al.   CHEMICAL REVIEWS

Bimetal Doping in Nanoclusters: Synergistic or Counteractive?

(2016) Nan Yan et al.   CHEMISTRY OF MATERIALS

Crystal Structure of the PdAu24(SR)180 Superatom

(2016) Marcus A. Tofanelli et al.   INORGANIC CHEMISTRY

Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure

(2016) Janis Timoshenko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Jahn–Teller effects in Au25(SR)18

(2016) Marcus A. Tofanelli et al.   Chemical Science

A grand unified model for liganded gold clusters

(2016) Wen Wu Xu et al.   Nature Communications

Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters

(2015) Amendra Fernando et al.   CHEMICAL REVIEWS

Gold Nanomaterials at Work in Biomedicine

(2015) Xuan Yang et al.   CHEMICAL REVIEWS

Interconversion between Superatomic 6-Electron and 8-Electron Configurations of M@Au24(SR)18 Clusters (M = Pd, Pt)

(2015) Kyuju Kwak et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters

(2015) Chuanhao Yao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adding Two Active Silver Atoms on Au25 Nanoparticle

(2015) Chuanhao Yao et al.   NANO LETTERS

Atomically precise metal nanoclusters: stable sizes and optical properties

(2015) Rongchao Jin   Nanoscale

Preferential Location of Coinage Metal Dopants (M = Ag or Cu) in [Au25–xMx(SC2H4Ph)18]− (x ∼ 1) As Determined by Extended X-ray Absorption Fine Structure and Density Functional Theory Calculations

(2014) Seiji Yamazoe et al.   Journal of Physical Chemistry C

X-ray Crystal Structure and Theoretical Analysis of Au25–xAgx(SCH2CH2Ph)18– Alloy

(2014) Chanaka Kumara et al.   Journal of Physical Chemistry Letters

Superatomic Orbitals under Spin–Orbit Coupling

(2014) De-en Jiang et al.   Journal of Physical Chemistry Letters

Doping and alloying in atomically precise gold nanoparticles

(2014) Rongchao Jin et al.   Nano Research

New Gold Nanostructures for Sensor Applications: A Review

(2014) Yuanchao Zhang et al.   Materials

Formation of a Pd@Au12 Superatomic Core in Au24Pd1(SC12H25)18 Probed by 197Au Mössbauer and Pd K-Edge EXAFS Spectroscopy

(2013) Yuichi Negishi et al.   Journal of Physical Chemistry Letters

Stable Au25(SR)18/TiO2 Composite Nanostructure with Enhanced Visible Light Photocatalytic Activity

(2013) Changlin Yu et al.   Journal of Physical Chemistry Letters

Metal-Cluster-Sensitized Solar Cells. A New Class of Thiolated Gold Sensitizers Delivering Efficiency Greater Than 2%

(2013) Yong-Siou Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The expanding universe of thiolated gold nanoclusters and beyond

(2013) De-en Jiang   Nanoscale

Catalysis by Supported Gold Nanoparticles: Beyond Aerobic Oxidative Processes

(2012) Manolis Stratakis et al.   CHEMICAL REVIEWS

Perspective: Relativistic effects

(2012) Jochen Autschbach   JOURNAL OF CHEMICAL PHYSICS

Dopant Location, Local Structure, and Electronic Properties of Au24Pt(SR)18 Nanoclusters

(2012) Stephen L. Christensen et al.   Journal of Physical Chemistry C

Effect of Copper Doping on Electronic Structure, Geometric Structure, and Stability of Thiolate-Protected Au25 Nanoclusters

(2012) Yuichi Negishi et al.   Journal of Physical Chemistry Letters

Monoplatinum Doping of Gold Nanoclusters and Catalytic Application

(2012) Huifeng Qian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modelling small gold and silver nanoparticles with electronic structure methods

(2012) Christine M. Aikens   MOLECULAR SIMULATION

Controlled growth of molecularly pure Au25(SR)18 and Au38(SR)24 nanoclusters from the same polydispersed crude product

(2012) HuiFeng Qian et al.   Science China-Chemistry

Well-Defined Nanoclusters as Fluorescent Nanosensors: A Case Study on Au25(SG)18

(2012) Zhikun Wu et al.   Small

Enhancement in Aerobic Alcohol Oxidation Catalysis of Au25 Clusters by Single Pd Atom Doping

(2012) Songhai Xie et al.   ACS Catalysis

Catalysis opportunities of atomically precise gold nanoclusters

(2011) Yan Zhu et al.   JOURNAL OF MATERIALS CHEMISTRY

Temperature-Dependent Optical Absorption Properties of Monolayer-Protected Au25 and Au38 Clusters

(2011) Mary Sajini Devadas et al.   Journal of Physical Chemistry Letters

Nonlinear Optical Signatures of Core and Ligand Electronic States in Au24PdL18

(2010) Stephen A. Miller et al.   Journal of Physical Chemistry Letters

Electronic Structure of Ligand-Passivated Gold and Silver Nanoclusters

(2010) Christine M. Aikens   Journal of Physical Chemistry Letters

Chirality and Electronic Structure of the Thiolate-Protected Au38Nanocluster

(2010) Olga Lopez-Acevedo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Total Structure Determination of Thiolate-Protected Au38Nanoparticles

(2010) Huifeng Qian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Isolation, structure, and stability of a dodecanethiolate-protected Pd1Au24 cluster

(2010) Yuichi Negishi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

From Superatomic Au25(SR)18−to Superatomic M@Au24(SR)18qCore−Shell Clusters

(2009) De-en Jiang et al.   INORGANIC CHEMISTRY

Effects of Core Distances, Solvent, Ligand, and Level of Theory on the TDDFT Optical Absorption Spectrum of the Thiolate-Protected Au25Nanoparticle

(2009) Christine M. Aikens   JOURNAL OF PHYSICAL CHEMISTRY A

Origin of Discrete Optical Absorption Spectra of M25(SH)18− Nanoparticles (M = Au, Ag)

(2009) Christine M. Aikens   Journal of Physical Chemistry C

Clusters, Superatoms, and Building Blocks of New Materials

(2009) A. W. Castleman et al.   Journal of Physical Chemistry C

Ligand-Protected Gold Alloy Clusters: Doping the Superatom

(2009) Michael Walter et al.   Journal of Physical Chemistry C

Reversible Switching of Magnetism in Thiolate-Protected Au25Superatoms

(2009) Manzhou Zhu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mass Spectrometry of Small Bimetal Monolayer-Protected Clusters

(2009) Christina A. Fields-Zinna et al.   LANGMUIR

Quantum sized, thiolate-protected gold nanoclusters

(2009) Rongchao Jin   Nanoscale

A density functional investigation of thiolate-protected bimetal PdAu24(SR)18z clusters: doping the superatom complex

(2009) Katarzyna A. Kacprzak et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Magnetic doping of a thiolated-gold superatom: First-principles density functional theory calculations

(2009) De-en Jiang et al.   PHYSICAL REVIEW B

Atomic and electronic structure of gold clusters: understanding flakes, cages and superatoms from simple concepts

(2008) Hannu Häkkinen   CHEMICAL SOCIETY REVIEWS

On the Structure of Thiolate-Protected Au25

(2008) Jaakko Akola et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal Structure of the Gold Nanoparticle [N(C8H17)4][Au25(SCH2CH2Ph)18]

(2008) Michael W. Heaven et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Correlating the Crystal Structure of A Thiol-Protected Au25Cluster and Optical Properties

(2008) Manzhou Zhu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A unified view of ligand-protected gold clusters as superatom complexes

(2008) M. Walter et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA