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2. Experimental
- Sample preparation
- Structural characterization:
- XRD from bulk crystalline powder
- Raman active modes in WS2
- TEM Images on sample
- Optical measurements
- UV-Vis spectroscopy
- Photoluminescence from WS2
3. Summary 2
Band structure Graphene vs. TMDCs
Graphene TMDCs, WS2
Bulk Monolayer
Conduction band
electrons are free
to roam
No bandgap
E
Valence band
electrons are
bound to atoms
k
Pristine Graphene has linear relationship betn Source: Phys. Rev. B 83, 245213 (2011)
energy E and wave vector k
1. An indirect bandgap (Bulk) 1.3 eV at Γ point.
Absence of bandgap
1. make it unsuitable for logic device 2. In monolayer direct bandgap 2.05 eV at K-point
applications
2. Bandgap in Graphene can be introduced by 3. Suitable for Logic devices, Optoelectronics &
external E-field, doping or functionalization Photovoltaic devices
Beyond graphene ??
Transition Metal Dichalcogenides, new 2D-materials
Graphene TMDCs
1. Mobility is ≈ 105 cm2 V−1 s −1 1. Mobility is >60 cm2 V−1 s −1
2. Absence of bandgap make it unsuitable for 2.Presence of bandgap (upto 6 eV, conducting to
logic device applications insulating), Suitable for Logic devices, Optoelectro
& Photovoltaic devices.
3. Ion/Ioff ratio is low (≈104), due to large off state
leakage in devices 3. Ion/Ioff ratio is large (≈108), off state leakage is low
In visible region of spectrum the photon energy range from 1.6 eV to 3.1 eV
(002)
Intense (002) peak indicates the
presence of layered structure
Intensity (a.u.)
(008)
(105)
(006)
(101)
(103)
(100)
(004)
(110)
(112)
(200)
(116)
(114)
(203)
(0010)
(102)
(107)
(106)
10 20 30 40 50 60 70 80
2 (degree)
X-rays Diffraction … continued
Calculation of lattice parameters:
Flakes of WS2
0.014
2.25 eV
0.012
2.6 eV
3.0 eV
Direct bandgap point
0.010 1.91 eV
(h)(eV cm-1)
B C D
0.008 A
0.006
0.004
0.002
0.000
1.5 2.0 2.5 3.0 3.5
Energy (eV)
Two direct transitions (Bulk) at the Κ point occur due to the splitting of the valence band, and
leveled as excitons A (1.91 eV) and B (2.25 eV)
The peak C around 2.6 eV and D around 3 eV is recognized as the excitonic transitions from
multiple points near Γ point of the Brillouin zone
Photoluminescence from WS2 suspensions in DMF
Peaks at energy 1.51 eV and 1.44 eV are attributed to indirect band gap emission involving a
conduction band minimum at a midpoint between k and Γ points and valence band maximum at
the Γ point
The peaks at 2.6 eV and 2.94 eV is recognized as the excitonic transitions from multiple points
near Γ point of the Brillouin zone
Summary
• Raman scattering confirmed the presence of two modes (A1g and E12g)