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- 2024
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Mark
Side-group switching between metal-to-ligand charge-transfer and metal-centered excited state properties in iron(II) N-heterocyclic carbene complexes
(
- Contribution to journal › Scientific review
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Mark
Tailoring the Photophysical Properties of a Homoleptic Iron(II) Tetra N-Heterocyclic Carbene Complex by Attaching an Imidazolium Group to the (C∧N∧C) Pincer Ligand─A Comparative Study
(
- Contribution to journal › Article
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Mark
How Rigidity and Conjugation of Bidentate Ligands Affect the Geometry and Photophysics of Iron N-Heterocyclic Complexes : A Comparative Study
(
- Contribution to journal › Article
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Mark
Photoredox matching of earth-abundant photosensitizers with hydrogen evolving catalysts by first-principles predictions
(
- Contribution to journal › Article
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Mark
Using Iron L-Edge and Nitrogen K-Edge X-ray Absorption Spectroscopy to Improve the Understanding of the Electronic Structure of Iron Carbene Complexes
(
- Contribution to journal › Article
- 2023
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Mark
Competing dynamics of intramolecular deactivation and bimolecular charge transfer processes in luminescent Fe(iii) N-heterocyclic carbene complexes
(
- Contribution to journal › Article
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Mark
Multifaceted Deactivation Dynamics of Fe(II) N-Heterocyclic Carbene Photosensitizers
(
- Contribution to journal › Article
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Mark
Ligand-centered to metal-centered activation of a Rh(iii) photosensitizer revealed by ab initio molecular dynamics simulations
(
- Contribution to journal › Article
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Mark
Direct Determination of the Rate of Intersystem Crossing in a Near-IR Luminescent Cr(III) Triazolyl Complex
(
- Contribution to journal › Article
- 2022
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Mark
Electro-mechanically switchable hydrocarbons based on [8]annulenes
(
- Contribution to journal › Article
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Mark
Photophysical Integrity of the Iron(III) Scorpionate Framework in Iron(III)-NHC Complexes with Long-Lived 2LMCT Excited States
(
- Contribution to journal › Article
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Mark
Borylation in the Second Coordination Sphere of FeIICyanido Complexes and Its Impact on Their Electronic Structures and Excited-State Dynamics
(
- Contribution to journal › Article
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Mark
Ultrafast laser spectroscopy uncovers mechanisms of light energy conversion in photosynthesis and sustainable energy materials
(
- Contribution to journal › Article
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Mark
Dip-and-pull ambient pressure photoelectron spectroscopy as a spectroelectrochemistry tool for probing molecular redox processes
(
- Contribution to journal › Article
- 2021
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Mark
Photofunctionality of iron(III) N-heterocyclic carbenes and related d5 transition metal complexes
(
- Contribution to journal › Scientific review
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Mark
Microsecond Photoluminescence and Photoreactivity of a Metal-Centered Excited State in a Hexacarbene-Co(III) Complex
(
- Contribution to journal › Article
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Mark
Resonant X-ray photo-oxidation of light-harvesting iron (II/III) N-heterocyclic carbene complexes
(
- Contribution to journal › Article
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Mark
Dye-sensitized solar cells based on Fe N-heterocyclic carbene photosensitizers with improved rod-like push-pull functionality
(
- Contribution to journal › Article
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Mark
Spin propensity in resonant photoemission of transition metal complexes
(
- Contribution to journal › Article
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Mark
Design of robust 2,2′-bipyridine ligand linkers for the stable immobilization of molecular catalysts on silicon(111) surfaces
(
- Contribution to journal › Article
- 2020
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Mark
A Stable Homoleptic Organometallic Iron(IV) Complex
(
- Contribution to journal › Article
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Mark
Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering
(
- Contribution to journal › Article
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Mark
Hot Branching Dynamics in a Light-Harvesting Iron Carbene Complex Revealed by Ultrafast X-ray Emission Spectroscopy
(
- Contribution to journal › Article
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Mark
Site-Selective Orbital Interactions in an Ultrathin Iron-Carbene Photosensitizer Film
(
- Contribution to journal › Article
-
Mark
Photophysics and photochemistry of iron carbene complexes for solar energy conversion and photocatalysis
(
- Contribution to journal › Scientific review
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Mark
HERFD-XANES probes of electronic structures of ironII/IIIcarbene complexes
(
- Contribution to journal › Article
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Mark
Tracing the Full Bimolecular Photocycle of Iron(III)-Carbene Light Harvesters in Electron-Donating Solvents
(
- Contribution to journal › Article
- 2019
-
Mark
Luminescence and reactivity of a charge-transfer excited iron complex with nanosecond lifetime
(
- Contribution to journal › Article
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Mark
Band-selective dynamics in charge-transfer excited iron carbene complexes
(
- Contribution to journal › Article
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Mark
How Will the Emerging Plurality of Lives Change? : How We Conceive of and Relate to Life?
2019) In Challenges(
- Contribution to journal › Article
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Mark
Influence of Triplet Surface Properties on Excited-State Deactivation of Expanded Cage Bis(tridentate)Ruthenium(II) Complexes
(
- Contribution to journal › Article
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Mark
Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy
(
- Contribution to journal › Article
-
Mark
Excited State Dynamics of Bistridentate and Trisbidentate RuII Complexes of Quinoline-Pyrazole Ligands
(
- Contribution to journal › Article
- 2018
-
Mark
FeII Hexa N-Heterocyclic Carbene Complex with a 528 ps Metal-To-Ligand Charge-Transfer Excited-State Lifetime
(
- Contribution to journal › Article
-
Mark
Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2′-bipyridine)(CN)4]2-
(
- Contribution to journal › Article
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Mark
Tracking the picosecond deactivation dynamics of a photoexcited iron carbene complex by time-resolved X-ray scattering
(
- Contribution to journal › Article
-
Mark
Design, Synthesis and Computational Study of Fluorinated Quinoxaline-Oligothiophene-based Conjugated Polymers with Broad Spectral Coverage
(
- Contribution to journal › Article
- 2017
-
Mark
Defining donor and acceptor strength in conjugated copolymers
(
- Contribution to journal › Article
-
Mark
Ultrafast Electron Dynamics in Solar Energy Conversion
(
- Contribution to journal › Article
-
Mark
Quantum chemical calculations of the structural influence on electronic properties in TiO2 nanocrystals
(
- Contribution to journal › Article
-
Mark
Electronic structure and excited state properties of iron carbene photosensitizers - A combined X-ray absorption and quantum chemical investigation
(
- Contribution to journal › Article
-
Mark
Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)2(CN)2]
(
- Contribution to journal › Article
-
Mark
A low-spin Fe(iii) complex with 100-ps ligand-to-metal charge transfer photoluminescence
(
- Contribution to journal › Article
- 2016
-
Mark
Computational characterization of competing energy and electron transfer states in bimetallic donor-acceptor systems for photocatalytic conversion
(
- Contribution to journal › Article
-
Mark
Fe N-Heterocyclic Carbene Complexes as Promising Photosensitizers
(
- Contribution to journal › Article
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Mark
Chemical consequences of pyrazole orientation in RuII complexes of unsymmetric quinoline-pyrazole ligands
(
- Contribution to journal › Article
-
Mark
Molecular and Interfacial Calculations of Iron(II) Light Harvesters
(
- Contribution to journal › Article
-
Mark
Ultrafast excited state dynamics of [Cr(CO)4(bpy)] : Revealing the relaxation between triplet charge-transfer states
(
- Contribution to journal › Article
-
Mark
Diastereomerization Dynamics of a Bistridentate RuII Complex
(
- Contribution to journal › Article
-
Mark
Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution
(
- Contribution to journal › Article
-
Mark
High-Performance Hole Transport and Quasi-Balanced Ambipolar OFETs Based on D–A–A Thieno-benzo-isoindigo Polymers
(
- Contribution to journal › Article
- 2015
-
Mark
Exploring Photoinduced Excited State Evolution in Heterobimetallic Ru(II)-Co(III) Complexes
(
- Contribution to journal › Article
-
Mark
A Heteroleptic Ferrous Complex with Mesoionic Bis(1,2,3-triazol-5-ylidene) Ligands: Taming the MLCT Excited State of Iron(II).
(
- Contribution to journal › Article
-
Mark
One-Step Synthesis of Precursor Oligomers for Organic Photovoltaics: A Comparative Study between Polymers and Small Molecules
(
- Contribution to journal › Article
-
Mark
Rational design of D-A1-D-A2 conjugated polymers with superior spectral coverage.
(
- Contribution to journal › Article
-
Mark
Iron sensitizer converts light to electrons with 92% yield.
(
- Contribution to journal › Article
-
Mark
D-A(1)-D-A(2) Copolymers with Extended Donor Segments for Efficient Polymer Solar Cells
(
- Contribution to journal › Article
-
Mark
Temperature-Dependent Optical Properties of Flexible Donor - Acceptor Polymers
(
- Contribution to journal › Article
- 2014
-
Mark
Orbital Topology Controlling Charge Injection in Quantum-Dot-Sensitized Solar Cells
(
- Contribution to journal › Article
-
Mark
Material Dependence of Water Interactions with Metal Oxide Nanoparticles: TiO2, SiO2, GeO2, and SnO2
(
- Contribution to journal › Scientific review
-
Mark
Light-harvesting capabilities of low band gap donor-acceptor polymers.
(
- Contribution to journal › Article
-
Mark
A Homoleptic Trisbidentate Ru(II) Complex of a Novel Bidentate Biheteroaromatic Ligand Based on Quinoline and Pyrazole Groups: Structural, Electrochemical, Photophysical, and Computational Characterization.
(
- Contribution to journal › Article
- 2013
-
Mark
Tuning the Electronics of Bis(tridentate)ruthenium(II) Complexes with Long-Lived Excited States: Modifications to the Ligand Skeleton beyond Classical Electron Donor or Electron Withdrawing Group Decorations
(
- Contribution to journal › Article
-
Mark
Development of a ReaxFF Reactive Force Field for Titanium Dioxide/Water Systems
(
- Contribution to journal › Article
-
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Conformation sensitive charge transport in conjugated polymers
(
- Contribution to journal › Article
-
Mark
Emerging Polymorphism in Nanostructured TiO2: Quantum Chemical Comparison of Anatase, Rutile, and Brookite Clusters
(
- Contribution to journal › Article
- 2012
-
Mark
Excited state potential energy surfaces of bistridentate Ru-II complexes - A TD-DFT study
(
- Contribution to journal › Article
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Mark
Influence of Triplet State Multidimensionality on Excited State Lifetimes of Bis-tridentate Ru(II) Complexes: A Computational Study
2012) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 116(3). p.1041-1050(
- Contribution to journal › Article
-
Mark
Light-harvesting and electronic contacting capabilities of Ru(II) Ipa rod and star complexes-first principles predictions
(
- Contribution to journal › Article
-
Mark
Computational study of the catalytic effect of platinum on the decomposition of DNT
(
- Contribution to journal › Article
-
Mark
Photoinduced electron transfer processes in dye-semiconductor systems with different spacer groups
(
- Contribution to journal › Article
-
Mark
Quantum Chemical Calculations of Side-Group Stacking and Electronic Properties in Thiophene-Quinoxaline Polymers
(
- Contribution to journal › Article
- 2011
-
Mark
The electronic structure and reflectivity of PEDOT:PSS from density functional theory
(
- Contribution to journal › Article
- 2009
-
Mark
Computational Characterization of Ruthenium Bistripyrrin Sensitizers
2009) In Inorganic Chemistry Communications(
- Contribution to journal › Letter
-
Mark
Large Footprint Pyrene Chromophores Anchored to Planar and Colloidal Metal Oxide Thin Films
(
- Contribution to journal › Article
-
Mark
Calculations of interfacial interactions in pyrene-Ipa rod sensitized nanostructured TiO2
(
- Contribution to journal › Article
-
Mark
Meta-substituted Ru(II) rigid rods for sensitization of TiO(2)
(
- Contribution to journal › Article
- 2008
-
Mark
Steric influence on the excited-state lifetimes of ruthenium complexes with bipyridyl-alkanylene-pyridyl Ligands
(
- Contribution to journal › Article
-
Mark
Dynamical simulation of photoinduced electron transfer reactions in dye-semiconductor systems with different anchor groups
(
- Contribution to journal › Article
-
Mark
On the excited-state multi-dimensionality in cyanines
(
- Contribution to journal › Article
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Mark
Computational Study of the Lowest Triplet State of Ruthenium Polypyridyl Complexes Used in Artificial Photosynthesis.
2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(19). p.4470-4476(
- Contribution to journal › Article
-
Mark
Bistridentate Ruthenium(II)polypyridyl-Type Complexes with Microsecond (MLCT)-M-3 State Lifetimes: Sensitizers for Rod-Like Molecular Arrays
(
- Contribution to journal › Article
-
Mark
Frequency dispersed transient absorption spectra of dissolved perylene: A case study using the density matrix version of the MCTDH method
(
- Contribution to journal › Article
-
Mark
Development and Application of a ReaxFF Reactive Force Field for Oxidative Dehydrogenation on Vanadium Oxide Catalysts
(
- Contribution to journal › Article
- 2007
-
Mark
Cyclometallated iridium and platinum complexes with noninnocent ligands
(
- Contribution to journal › Article
-
Mark
Calculated optoelectronic properties of ruthenium tris-bipyridine dyes containing oligophenyleneethynylene rigid rod linkers in different chemical environments
2007) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 111(8). p.1487-1497(
- Contribution to journal › Article
-
Mark
Dye-sensitization of the TiO2 rutile (110) surface by perylene dyes: Quantum-chemical periodic B3LYP computations
(
- Contribution to journal › Article
- 2006
-
Mark
Quantum-chemical calculations of dye-sensitized semiconductor nanocrystals
(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
-
Mark
Quantum Chemical Study of the Influence of Anchor-Cum-Spacer Groups on Femtosecond Electron Transfer Times in Dye-Sensitized Semiconductor Nanocrystals
(
- Contribution to journal › Article
-
Mark
Structure of Tetrafluorocyclopropane, Hexafluorocyclobutene, Octofluorocyclopentene, and Related Perfluoroalkene Radical Anions Revealed by ESR Spectroscopic and Computational Studies
2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(19). p.6307-6323(
- Contribution to journal › Article
-
Mark
Development of the ReaxFF Reactive Force Field for Mechanistic Studies of Catalytic Selective Oxidation Processes on BiMoOx
(
- Contribution to journal › Article
-
Mark
Photochemistry of bromofluorobenzenes
2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(22). p.7045-7056(
- Contribution to journal › Article
-
Mark
Electronic Coupling Calculations for Ultrafast Photoinduced Charge-Transfer Processes from Aromatic Adsorbates to TiO2 Nanocrystals
(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
-
Mark
Spacer and anchor effects on the electronic coupling in ruthenium-bis-terpyridine dye-sensitized TiO2 nanocrystals studied by DFT
(
- Contribution to journal › Article
-
Mark
DFT Modeling of Bare and Dye-sensitized TiO2 Nanocrystals
(
- Contribution to journal › Article
- 2005
-
Mark
Ultrafast Spacer Controlled Interfacial Electron Transfer: Comparison Between Experimental Data and Theory
(
- Contribution to journal › Published meeting abstract
-
Mark
Density Functional Theory Study of NO Adsorbed in A-Zeolite
(
- Contribution to journal › Article
-
Mark
Direct ESR Evidence for SH2 Type Reaction of a Methyl Radical with Methylsilane and Methylgermane in a Low Temperature Solid: a Deuterium Labelling Study
(
- Contribution to journal › Letter
-
Mark
Anchor Group Influence on Molecule-Metal Oxide Interfaces: Periodic Hybrid DFT Study of Pyridine Bound to TiO2 via Carboxylic and Phosphonic Acid
(
- Contribution to journal › Letter
-
Mark
Phosphonic Acid Adsorption at the TiO2 anatase (101) surface investigated by periodic hybrid HF-DFT computations
(
- Contribution to journal › Article
-
Mark
Calculated Structural and Electronic Interactions of a Titanium Dioxide Nanocrystal Sensitized with the Ruthenium Dye N3
(
- Contribution to journal › Article
- 2004
-
Mark
Photodissociation of Bromobenzene, Dibromobenzene, and 1,3,5-Tribromobenzene
(
- Contribution to journal › Article
-
Mark
Multireference Calculations of the Phosphorescence and Photodissociation of Chlorobenzene
(
- Contribution to journal › Article
-
Mark
Theoretical Study of Photodissociation of Low Lying Excited States of Hydrogen Peroxide
(
- Contribution to journal › Article
-
Mark
Theoretical Study of the Fast Photodissociation Channels of the Monohalobenzenes
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(12). p.2339-2345(
- Contribution to journal › Article
- 2003
-
Mark
The Smallest Possible Nanocrystals of Semiionic Oxides
(
- Contribution to journal › Article
-
Mark
Electronic Coupling and Coherence Effects in Ultrafast Heterogeneous Electron Transfer
(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
-
Mark
Bi-isonicotinic acid on TiO2 rutile (110): calculated molecular and electronic structure
(
- Contribution to journal › Article
- 2002
-
Mark
Experimental evidence for sub-3-fs charge transfer from an aromatic adsorbate to a semiconductor
(
- Contribution to journal › Article
-
Mark
Quantum-chemical prediction of the adsorption conformations and dynamics at HCOOH covered ZnO(10-10)
(
- Contribution to journal › Article
-
Mark
Electronic Interactions at romatic-Metal Oxide Interfaces Calculated from First Principles
(
- Contribution to journal › Letter
-
Mark
Quantum-Chemical Studies of Metal Oxides for Photoelectrochemical Applications
(
- Contribution to journal › Scientific review
-
Mark
Electron Dynamics within Ru-2,2'-Bipyridine Complexes - an N1s Core Level Study
(
- Contribution to journal › Article
-
Mark
PES Studies of Ru(dcbpyH2)2(NCS)2 Adsorption on Nanostructured ZnO for Solar Cell Applications
(
- Contribution to journal › Article
- 2001
-
Mark
Shake-Up and Shake-Off Excitations and Associated Electron Losses in X-Ray Studies of Proteins
(
- Contribution to journal › Article
-
Mark
Triarylamine on Nanocrystalline TiO2 Studied in its Reduced and Oxidized State by Photoelectron Spectroscopy
(
- Contribution to journal › Article
- 2000
-
Mark
N1s x-ray Absorption Study of the Bonding Interaction of Bi-Isonicotinic Acid on Rutile TiO2 (110)
(
- Contribution to journal › Letter
-
Mark
Binding of bi-isonicotinic acid to anatase TiO2 (101)
(
- Contribution to journal › Article
-
Mark
Quantum Chemical Study of Photoinjection Processes in Sensitized TiO2 Nanoparticles
(
- Contribution to journal › Article
-
Mark
Periodic Hartree-Fock Study of the Adsorption of Formic Acid on ZnO(10-10)
(
- Contribution to journal › Letter
-
Mark
INDO Calculations of Small Copper Clusters, and CO Adsorbed on Copper (100) Surfaces
(
- Contribution to journal › Article
-
Mark
Quantum Photoelectrochemistry
2000)(
- Thesis › Doctoral thesis (compilation)
- 1999
-
Mark
Adsorption of Bi-Isonicotinic Acid on Rutile TiO2 (110)
(
- Contribution to journal › Article
-
Mark
High Resolution X-Ray Photoelectron Spectroscopy and INDO/S-CI Study of the Core Electron Shakeup States of PMDA-ODA Polyimide
(
- Contribution to journal › Article
-
Mark
XPS Studies of Ru-Polypyridine Complexes for Solar Cell Applications
(
- Contribution to journal › Article
- 1998
-
Mark
Periodic INDO Calculations of Organic Adsorbates on a TiO2 Surface
(
- Contribution to journal › Article
- 1996
-
Mark
Site-Selective Participator Decay of Core-Excited Butadiene
(
- Contribution to journal › Article