How size, edge shape, functional groups and embeddedness influence the electronic structure and partial optical properties of graphene nanoribbons

2021 ◽  
Vol 23 (36) ◽  
pp. 20695-20701
Author(s):  
Jin Feng ◽  
Xinlong Mao ◽  
Hongxia Zhu ◽  
Zhe yang ◽  
Mengdi Cui ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Excited State ◽  
Band Structure ◽  
Functional Groups ◽  
Electron Distribution ◽  
State Energy ◽  
Functional Group ◽  
Graphene Nanoribbons ◽  
Excited State Energy

The size, edge shape, functional group and embeddedness affect the properties, including the band structure, excited state energy and electron distribution, of GNRs.

Effects of aromatic substituents on the electronic structure and excited state energy levels of diketopyrrolopyrrole derivatives for singlet fission

2018 ◽  
Vol 20 (35) ◽  
pp. 22997-23006 ◽  
Author(s):  
Li Shen ◽  
Zhaofeng Tang ◽  
Xuemin Wang ◽  
Heyuan Liu ◽  
Yanli Chen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Excited State ◽  
State Energy ◽  
Energy Levels ◽  
Singlet Fission ◽  
Excited State Energy

Aryl-substituted diketopyrrolopyrrole-based singlet fission candidates have been designed and evaluated for extending the library of singlet fission sensitizers.

Conformation and electronic structure of aromatic chloroformates

1987 ◽  
Vol 52 (4) ◽  
pp. 970-979 ◽  
Author(s):  
Otto Exner ◽  
Pavel Fiedler
Keyword(s):  
Electronic Structure ◽  
Oxygen Atom ◽  
Strong Interaction ◽  
Electron Distribution ◽  
Room Temperature ◽  
Functional Group ◽  
Dipole Moments ◽  
Carbonyl Oxygen ◽  
Nonpolar Solvents ◽  
Single Method

Aromatic chloroformates Ib-Ie were shown to exist in the ap conformation, in agreement with aliphatic chloroformates, i.e. the alkyl group is situated cis to the carbonyl oxygen atom as it is the case in all esters. While 4-nitrophenyl chloroformate (Ie) is in this conformation in crystal, in solution at most several tenths of percent of the sp conformation may be populated at room temperature and in nonpolar solvents only. A new analysis of dipole moments explained the previous puzzling results and demonstrated the impossibility to determine the conformation by this single method, in consequence of the strong interaction of adjoining bonds. If, however, the ap conformation is once proven, the dipole moments reveal some features of the electron distribution on the functional group, characterized by the enhanced polarity of the C-Cl bond and reduced polarity of the C=O bond. This is in agreement with the observed bond lengths and angles.

TRANSITION FREQUENCY OF STRONG-COUPLING IMPURITY BOUND POLARON IN AN ASYMMETRIC QUANTUM DOT

2012 ◽  
Vol 11 (03) ◽  
pp. 1250026 ◽  
Author(s):  
CHENG-SHUN WANG ◽  
YU-FANG CHEN ◽  
JING-JIN XIAO
Keyword(s):  
Excited State ◽  
Coupling Strength ◽  
State Energy ◽  
Transition Frequency ◽  
Phonon Coupling ◽  
Excited State Energy ◽  
Bound Polaron ◽  
Asymmetric Quantum Dot ◽  
Asymmetric Quantum ◽  
Electron Phonon Coupling

Properties of the excited state of strong-coupling impurity bound polaron in an asymmetric quantum dot are studied by using linear combination operator and unitary transformation methods. The first internal excited state energy, the excitation energy and the transition frequency between the first internal excited and the ground states of the impurity bound polaron as functions of the transverse and the longitudinal effective confinement lengths of the dot, the electron–phonon coupling strength and the Coulomb bound potential were derived. Our numerical results show that they will increase with decreasing the effective confinement lengths, due to interesting quantum size confining effects. But they are an increasing functions of the Coulomb bound potential. The first internal excited state energy is a decreasing function of the electron–phonon coupling strength whereas the transition frequency and the excitation energy are an increasing one of the electron–phonon coupling strength.

Excited-State Energy-Transfer Dynamics in Self-Assembled Triads Composed of Two Porphyrins and an Intervening Bis(dipyrrinato)metal Complex

2003 ◽  
Vol 42 (21) ◽  
pp. 6629-6647 ◽  
Author(s):  
Lianhe Yu ◽  
Kannan Muthukumaran ◽  
Igor V. Sazanovich ◽  
Christine Kirmaier ◽  
Eve Hindin ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Excited State ◽  
Metal Complex ◽  
State Energy ◽  
Excited State Energy ◽  
Self Assembled

Electronic and optical properties of surface-functionalized armchair graphene nanoribbons

RSC Advances ◽  
2016 ◽  
Vol 6 (28) ◽  
pp. 23974-23980 ◽  
Author(s):  
Min Wang ◽  
Si Xing Song ◽  
Hai Xing Zhao ◽  
Yu Chen Wang
Keyword(s):  
Optical Properties ◽  
Spatial Distribution ◽  
Functional Groups ◽  
Graphene Nanoribbons ◽  
Electronic And Optical Properties ◽  
Armchair Graphene Nanoribbons ◽  
Armchair Graphene

The functional groups on armchair graphene nanoribbons affect the spatial distribution of the wavefunction and influence the electronic and optical properties as well.

scholarly journals Mono- Versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to Best Performance?

2020 ◽  
Author(s):  
Florian Chotard ◽  
Vasily Sivchik ◽  
Mikko Linnolahti ◽  
Manfred Bochmann ◽  
Alexander Romanov
Keyword(s):  
Excited State ◽  
State Energy ◽  
Conformational Flexibility ◽  
Quantum Yields ◽  
Carbene Ligands ◽  
Lumo Energy ◽  
Excited State Energy ◽  
Excited State Lifetimes

New luminescent “carbene-metal-amide” (CMA) Cu, Ag and Au complexes based on monocyclic (C6) or bicyclic six-ring (BIC6) cyclic (alkyl)(amino)carbene ligands illustrates the effects of LUMO energy stabilization, conformational flexibility and excited state energy on the photoemission properties, leading to near-quantitative quantum yields, short excited state lifetimes Cu > Au > Ag down to 0.5 µs and high radiative rates of 10<sup>6</sup> s<sup>–1</sup>.

Porphyrin Antennas on Carbon Nanodots: Excited State Energy and Electron Transduction

2017 ◽  
Vol 56 (40) ◽  
pp. 12097-12101 ◽  
Author(s):  
Francesca Arcudi ◽  
Volker Strauss ◽  
Luka Đorđević ◽  
Alejandro Cadranel ◽  
Dirk M. Guldi ◽  
...  
Keyword(s):  
Excited State ◽  
State Energy ◽  
Carbon Nanodots ◽  
Excited State Energy

Evaluation of AlGaAs/GaAs Heterointerface by Shubnikov-de Haas Oscillation Measurements

1986 ◽  
Vol 77 ◽  
Author(s):  
Kazumi Kasai ◽  
H. Tanaka ◽  
H. Itoh ◽  
T. Oh-Hori ◽  
M. Takikawa ◽  
...  
Keyword(s):  
Excited State ◽  
State Energy ◽  
Energy Levels ◽  
Interface Model ◽  
Dimensional Electron ◽  
Excited State Energy ◽  
Haas Oscillation ◽  
First Excited State ◽  
A New Technique

ABSTRACTThe measurement of Shubnikov-de Haas(SdH) oscillation is proposed as a new technique for evaluating the quality of a heterointerface. The first excited state of 2-dimensional electron energy levels is determined for several samples using the measurements of SdH oscillation. Lower values of the first excited state energy are found for the samples with a low mobility. The low value can be approximately explained in terms of graded interface model.

Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

2015 ◽  
Vol 42 ◽  
pp. 351-360 ◽  
Author(s):  
A.A. Lavrentyev ◽  
B.V. Gabrelian ◽  
V.T. Vu ◽  
P.N. Shkumat ◽  
G.L. Myronchuk ◽  
...  
Keyword(s):  
Experimental Study ◽  
Optical Properties ◽  
Electronic Structure ◽  
Band Structure ◽  
Dft Calculations
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