Showing papers on "Band gap published in 2014"
TL;DR: In this paper, the 2D counterpart of layered black phosphorus, which is called phosphorene, is introduced as an unexplored p-type semiconducting material and the authors find that the band gap is direct, depends on the number of layers and the in-layer strain, and significantly larger than the bulk value of 0.31-0.36 eV.
Abstract: We introduce the 2D counterpart of layered black phosphorus, which we call phosphorene, as an unexplored p-type semiconducting material. Same as graphene and MoS2, single-layer phosphorene is flexible and can be mechanically exfoliated. We find phosphorene to be stable and, unlike graphene, to have an inherent, direct, and appreciable band gap. Our ab initio calculations indicate that the band gap is direct, depends on the number of layers and the in-layer strain, and is significantly larger than the bulk value of 0.31–0.36 eV. The observed photoluminescence peak of single-layer phosphorene in the visible optical range confirms that the band gap is larger than that of the bulk system. Our transport studies indicate a hole mobility that reflects the structural anisotropy of phosphorene and complements n-type MoS2. At room temperature, our few-layer phosphorene field-effect transistors with 1.0 μm channel length display a high on-current of 194 mA/mm, a high hole field-effect mobility of 286 cm2/V·s, and an...
5,233 citations
TL;DR: A detailed theoretical investigation of the atomic and electronic structure of few-layer black phosphorus (BP) is presented to predict its electrical and optical properties, finding that the mobilities are hole-dominated, rather high and highly anisotropic.
Abstract: Two-dimensional crystals are emerging materials for nanoelectronics. Development of the field requires candidate systems with both a high carrier mobility and, in contrast to graphene, a sufficiently large electronic bandgap. Here we present a detailed theoretical investigation of the atomic and electronic structure of few-layer black phosphorus (BP) to predict its electrical and optical properties. This system has a direct bandgap, tunable from 1.51 eV for a monolayer to 0.59 eV for a five-layer sample. We predict that the mobilities are hole-dominated, rather high and highly anisotropic. The monolayer is exceptional in having an extremely high hole mobility (of order 10,000 cm(2) V(-1) s(-1)) and anomalous elastic properties which reverse the anisotropy. Light absorption spectra indicate linear dichroism between perpendicular in-plane directions, which allows optical determination of the crystalline orientation and optical activation of the anisotropic transport properties. These results make few-layer BP a promising candidate for future electronics.
3,622 citations
01 Jan 2014
TL;DR: The found phosphorene to be stable and to have an inherent, direct, and appreciable band gap, which depends on the number of layers and the in-layer strain, and is significantly larger than the bulk value of 0.31-0.36 eV.
Abstract: We introduce the 2D counterpart of layered black phosphorus, which we call phosphorene, as an unexplored p-type semiconducting material. Same as graphene and MoS2, single-layer phosphorene is flexible and can be mechanically exfoliated. We find phosphorenetobestableand,unlikegraphene,tohaveaninherent, direct, and appreciable band gap. Our ab initio calculations indicate thatthebandgapisdirect,dependsonthenumberoflayersandthe in-layer strain, and is significantly larger than the bulk value of 0.31� 0.36 eV. The observed photoluminescence peak of single-layer phosphorene in the visible optical range confirms that the band gap is larger than that of the bulk system. Our transport studies indicate a hole mobility that reflects the structuralanisotropyofphosphoreneandcomplementsn-typeMoS2.Atroomtemperature,ourfew-layerphosphorene field-effecttransistorswith1.0 μm channellengthdisplayahighon-currentof194mA/mm,ahighhole field-effectmobilityof286cm 2 /V 3 s,andanon/offratioofupto10 4 .Wedemonstrate the possibility of phosphorene integration by constructing a 2D CMOS inverter consisting of phosphorene PMOS and MoS2 NMOS transistors.
2,675 citations
TL;DR: Using highly sensitive photothermal deflection and photocurrent spectroscopy, the absorption spectrum of CH3NH3PbI3 perovskite thin films at room temperature is measured, finding a high absorption coefficient with particularly sharp onset and a compositional change of the material.
Abstract: Solar cells based on organometallic halide perovskite absorber layers are emerging as a high-performance photovoltaic technology. Using highly sensitive photothermal deflection and photocurrent spectroscopy, we measure the absorption spectrum of CH3NH3PbI3 perovskite thin films at room temperature. We find a high absorption coefficient with particularly sharp onset. Below the bandgap, the absorption is exponential over more than four decades with an Urbach energy as small as 15 meV, which suggests a well-ordered microstructure. No deep states are found down to the detection limit of ∼1 cm–1. These results confirm the excellent electronic properties of perovskite thin films, enabling the very high open-circuit voltages reported for perovskite solar cells. Following intentional moisture ingress, we find that the absorption at photon energies below 2.4 eV is strongly reduced, pointing to a compositional change of the material.
2,099 citations
TL;DR: The performance of organometallic perovskite solar cells has rapidly surpassed that of both conventional dye-sensitized and organic photovoltaics as discussed by the authors, which can be realized in both mesoporous and thin-film device architectures.
Abstract: The performance of organometallic perovskite solar cells has rapidly surpassed that of both conventional dye-sensitized and organic photovoltaics. High-power conversion efficiency can be realized in both mesoporous and thin-film device architectures. We address the origin of this success in the context of the materials chemistry and physics of the bulk perovskite as described by electronic structure calculations. In addition to the basic optoelectronic properties essential for an efficient photovoltaic device (spectrally suitable band gap, high optical absorption, low carrier effective masses), the materials are structurally and compositionally flexible. As we show, hybrid perovskites exhibit spontaneous electric polarization; we also suggest ways in which this can be tuned through judicious choice of the organic cation. The presence of ferroelectric domains will result in internal junctions that may aid separation of photoexcited electron and hole pairs, and reduction of recombination through segregation...
2,052 citations
TL;DR: In this paper, the authors reported that the band structure of few-layer black phosphorous is anisotropic and the band gap increases with the decrease in number of staking layers.
Abstract: The authors report that the band structure of few-layer black phosphorous is anisotropic and the band gap increases with the decrease in number of staking layers. The optical absorption and excitonic effects are also anisotropic.
2,021 citations
TL;DR: The researchers used first-principles calculations and found that certain structures of these materials may also exhibit the so-called spin Hall effect, which represents an exotic state of matter in which a 2D material conducts electricity along its edge in a way that drastically reduces dissipation.
Abstract: Quantum spin Hall (QSH) effect materials feature edge states that are topologically protected from backscattering. However, the small band gap in materials that have been identified as QSH insulators limits applications. We use first-principles calculations to predict a class of large-gap QSH insulators in two-dimensional transition metal dichalcogenides with 1T′ structure, namely, 1T′-MX 2 with M = (tungsten or molybdenum) and X = (tellurium, selenium, or sulfur). A structural distortion causes an intrinsic band inversion between chalcogenide- p and metal- d bands. Additionally, spin-orbit coupling opens a gap that is tunable by vertical electric field and strain. We propose a topological field effect transistor made of van der Waals heterostructures of 1T′-MX 2 and two-dimensional dielectric layers that can be rapidly switched off by electric field through a topological phase transition instead of carrier depletion.
1,538 citations
TL;DR: The renormalized bandgap and large exciton binding observed here will have a profound impact on electronic and optoelectronic device technologies based on single-layer semiconducting TMDs.
Abstract: Two-dimensional (2D) transition metal dichalcogenides (TMDs) are emerging as a new platform for exploring 2D semiconductor physics. Reduced screening in two dimensions results in markedly enhanced electron-electron interactions, which have been predicted to generate giant bandgap renormalization and excitonic effects. Here we present a rigorous experimental observation of extraordinarily large exciton binding energy in a 2D semiconducting TMD. We determine the single-particle electronic bandgap of single-layer MoSe2 by means of scanning tunnelling spectroscopy (STS), as well as the two-particle exciton transition energy using photoluminescence (PL) spectroscopy. These yield an exciton binding energy of 0.55 eV for monolayer MoSe2 on graphene—orders of magnitude larger than what is seen in conventional 3D semiconductors and significantly higher than what we see for MoSe2 monolayers in more highly screening environments. This finding is corroborated by our ab initio GW and Bethe-Salpeter equation calculations which include electron correlation effects. The renormalized bandgap and large exciton binding observed here will have a profound impact on electronic and optoelectronic device technologies based on single-layer semiconducting TMDs.
1,491 citations
1,197 citations
TL;DR: The results show that CH3NH3Sn(0.5)Pb(0-x)I3 has the broadest light absorption and highest short-circuit photocurrent density ~20 mA cm(-2) (obtained under simulated full sunlight of 100 mW cm−2).
Abstract: Perovskite-based solar cells have recently been catapulted to the cutting edge of thin-film photovoltaic research and development because of their promise for high-power conversion efficiencies and ease of fabrication. Two types of generic perovskites compounds have been used in cell fabrication: either Pb- or Sn-based. Here, we describe the performance of perovskite solar cells based on alloyed perovskite solid solutions of methylammonium tin iodide and its lead analogue (CH3NH3Sn1–xPbxI3). We exploit the fact that, the energy band gaps of the mixed Pb/Sn compounds do not follow a linear trend (the Vegard’s law) in between these two extremes of 1.55 and 1.35 eV, respectively, but have narrower bandgap (<1.3 eV), thus extending the light absorption into the near-infrared (∼1,050 nm). A series of solution-processed solid-state photovoltaic devices using a mixture of organic spiro-OMeTAD/lithium bis(trifluoromethylsulfonyl)imide/pyridinium additives as hole transport layer were fabricated and studied as a f...
1,176 citations
TL;DR: First-principles simulations show that this unique anisotropic free-carrier mobility can be controlled by using simple strain conditions, and will be useful for exploring unusual quantum Hall effects and exotic electronic and mechanical applications based on phosphorene.
Abstract: Newly fabricated few-layer black phosphorus and its monolayer structure, phosphorene, are expected to be promising for electronic and optical applications because of their finite direct band gaps and sizable but anisotropic electronic mobility. By first-principles simulations, we show that this unique anisotropic free-carrier mobility can be controlled by using simple strain conditions. With the appropriate biaxial or uniaxial strain (4–6%), we can rotate the preferred conducting direction by 90°. This will be useful for exploring unusual quantum Hall effects and exotic electronic and mechanical applications based on phosphorene.
TL;DR: This Atlas demonstrates the large diversity of electronic properties, including band gaps and electron mobilities of atomically thin materials, as well as rare earth, semimetals, transition metal chalcogenides and halides, and finally synthetic organic 2D materials, exemplified by 2D covalent organic frameworks.
Abstract: The discovery of graphene and other two-dimensional (2D) materials together with recent advances in exfoliation techniques have set the foundations for the manufacturing of single layered sheets from any layered 3D material. The family of 2D materials encompasses a wide selection of compositions including almost all the elements of the periodic table. This derives into a rich variety of electronic properties including metals, semimetals, insulators and semiconductors with direct and indirect band gaps ranging from ultraviolet to infrared throughout the visible range. Thus, they have the potential to play a fundamental role in the future of nanoelectronics, optoelectronics and the assembly of novel ultrathin and flexible devices. We categorize the 2D materials according to their structure, composition and electronic properties. In this review we distinguish atomically thin materials (graphene, silicene, germanene, and their saturated forms; hexagonal boron nitride; silicon carbide), rare earth, semimetals, transition metal chalcogenides and halides, and finally synthetic organic 2D materials, exemplified by 2D covalent organic frameworks. Our exhaustive data collection presented in this Atlas demonstrates the large diversity of electronic properties, including band gaps and electron mobilities. The key points of modern computational approaches applied to 2D materials are presented with special emphasis to cover their range of application, peculiarities and pitfalls.
TL;DR: It is shown that TiO2 coatings grown by atomic layer deposition prevent corrosion, have electronic defects that promote hole conduction, and are sufficiently transparent to reach the light-limited performance of protected semiconductors.
Abstract: Although semiconductors such as silicon (Si), gallium arsenide (GaAs), and gallium phosphide (GaP) have band gaps that make them efficient photoanodes for solar fuel production, these materials are unstable in aqueous media. We show that TiO2 coatings (4 to 143 nanometers thick) grown by atomic layer deposition prevent corrosion, have electronic defects that promote hole conduction, and are sufficiently transparent to reach the light-limited performance of protected semiconductors. In conjunction with a thin layer or islands of Ni oxide electrocatalysts, Si photoanodes exhibited continuous oxidation of 1.0 molar aqueous KOH to O2 for more than 100 hours at photocurrent densities of >30 milliamperes per square centimeter and ~100% Faradaic efficiency. TiO2-coated GaAs and GaP photoelectrodes exhibited photovoltages of 0.81 and 0.59 V and light-limiting photocurrent densities of 14.3 and 3.4 milliamperes per square centimeter, respectively, for water oxidation.
TL;DR: Theoretical/experimental results reveal that the O-vacancies endow 5-atom-thick In2O3 sheets with a new donor level and increased states of density, hence narrowing the band gap from the UV to visible regime and improving the carrier separation efficiency.
Abstract: Finding an ideal model for disclosing the role of oxygen vacancies in photocatalysis remains a huge challenge. Herein, O-vacancies confined in atomically thin sheets is proposed as an excellent platform to study the O-vacancy–photocatalysis relationship. As an example, O-vacancy-rich/-poor 5-atom-thick In2O3 porous sheets are first synthesized via a mesoscopic-assembly fast-heating strategy, taking advantage of an artificial hexagonal mesostructured In-oleate complex. Theoretical/experimental results reveal that the O-vacancies endow 5-atom-thick In2O3 sheets with a new donor level and increased states of density, hence narrowing the band gap from the UV to visible regime and improving the carrier separation efficiency. As expected, the O-vacancy-rich ultrathin In2O3 porous sheets-based photoelectrode exhibits a visible-light photocurrent of 1.73 mA/cm2, over 2.5 and 15 times larger than that of the O-vacancy-poor ultrathin In2O3 porous sheets- and bulk In2O3-based photoelectrodes.
TL;DR: In this paper, the single-particle electronic bandgap of single-layer metal dichalcogenides (TMDs) was determined using scanning tunneling spectroscopy (STS) and photoluminescence spectrograms (PL).
Abstract: Two-dimensional (2D) transition metal dichalcogenides (TMDs) exhibit novel electrical and optical properties and are emerging as a new platform for exploring 2D semiconductor physics. Reduced screening in 2D results in dramatically enhanced electron-electron interactions, which have been predicted to generate giant bandgap renormalization and excitonic effects. Currently, however, there is little direct experimental confirmation of such many-body effects in these materials. Here we present an experimental observation of extraordinarily large exciton binding energy in a 2D semiconducting TMD. We accomplished this by determining the single-particle electronic bandgap of single-layer MoSe2 via scanning tunneling spectroscopy (STS), as well as the two-particle exciton transition energy via photoluminescence spectroscopy (PL). These quantities yield an exciton binding energy of 0.55 eV for monolayer MoSe2, a value that is orders of magnitude larger than what is seen in conventional 3D semiconductors. This finding is corroborated by our ab initio GW and Bethe Salpeter equation calculations, which include electron correlation effects. The renormalized bandgap and large exciton binding observed here will have a profound impact on electronic and optoelectronic device technologies based on single-layer semiconducting TMDs.
TL;DR: A fully first-principles investigation on APbI3 perovskites with A = Cs(+), MA, and FA shows evidence that the tetragonal-to-quasi cubic structural evolution observed when moving from MA to FA is due to the interplay of size effects and enhanced hydrogen bonding between the FA cations and the inorganic matrix altering the covalent/ionic character of Pb-I bonds.
Abstract: Organohalide lead perovskites have revolutionized the scenario of emerging photovoltaic technologies. The prototype MAPbI3 perovskite (MA = CH3NH3+) has dominated the field, despite only harvesting photons above 750 nm (∼1.6 eV). Intensive research efforts are being devoted to find new perovskites with red-shifted absorption onset, along with good charge transport properties. Recently, a new perovskite based on the formamidinium cation ((NH2)2CH+ = FA) has shown potentially superior properties in terms of band gap and charge transport compared to MAPbI3. The results have been interpreted in terms of the cation size, with the larger FA cation expectedly delivering reduced band-gaps in Pb-based perovskites. To provide a full understanding of the interplay among size, structure, and organic/inorganic interactions in determining the properties of APbI3 perovskites, in view of designing new materials and fully exploiting them for solar cells applications, we report a fully first-principles investigation on APb...
TL;DR: In this article, it was shown that the energy levels of lead sulfide QDs, measured by ultraviolet photoelectron spectroscopy, shift by up to 0.9 eV between different chemical ligand treatments.
Abstract: The electronic properties of colloidal quantum dots (QDs) are critically dependent on both QD size and surface chemistry. Modification of quantum confinement provides control of the QD bandgap, while ligand-induced surface dipoles present a hitherto underutilized means of control over the absolute energy levels of QDs within electronic devices. Here, we show that the energy levels of lead sulfide QDs, measured by ultraviolet photoelectron spectroscopy, shift by up to 0.9 eV between different chemical ligand treatments. The directions of these energy shifts match the results of atomistic density functional theory simulations and scale with the ligand dipole moment. Trends in the performance of photovoltaic devices employing ligand-modified QD films are consistent with the measured energy level shifts. These results identify surface-chemistry-mediated energy level shifts as a means of predictably controlling the electronic properties of colloidal QD films and as a versatile adjustable parameter in the perfo...
TL;DR: In this paper, the effect of axial strain on the electronic band structure of phosphorene was studied using first-principles methods including density functional theory (DFT) and hybrid functionals.
Abstract: Recently fabricated two-dimensional phosphorene crystal structures have demonstrated great potential in applications of electronics. In this paper, strain effect on the electronic band structure of phosphorene was studied using first-principles methods including density functional theory (DFT) and hybrid functionals. It was found that phosphorene can withstand a tensile stress and strain up to 10 N/m and 30%, respectively. The band gap of phosphorene experiences a direct-indirect-direct transition when axial strain is applied. A moderate −2% compression in the zigzag direction can trigger this gap transition. With sufficient expansion (+11.3%) or compression (−10.2% strains), the gap can be tuned from indirect to direct again. Five strain zones with distinct electronic band structure were identified, and the critical strains for the zone boundaries were determined. Although the DFT method is known to underestimate band gap of semiconductors, it was proven to correctly predict the strain effect on the electronic properties with validation from a hybrid functional method in this work. The origin of the gap transition was revealed, and a general mechanism was developed to explain energy shifts with strain according to the bond nature of near-band-edge electronic orbitals. Effective masses of carriers in the armchair direction are an order of magnitude smaller than that of the zigzag axis, indicating that the armchair direction is favored for carrier transport. In addition, the effective masses can be dramatically tuned by strain, in which its sharp jump/drop occurs at the zone boundaries of the direct-indirect gap transition.
TL;DR: It is shown that the optical band gap of metal-halide perovskites, a key design parameter for solar cells, strongly correlates with a simple structural feature, the largest metal- Halide-metal bond angle, which is suggested to suggest continuous tunability of the optical gap from the mid-infrared to the visible.
Abstract: Owing to their high energy-conversion efficiency and inexpensive fabrication routes, solar cells based on metal-organic halide perovskites have rapidly gained prominence as a disruptive technology. An attractive feature of perovskite absorbers is the possibility of tailoring their properties by changing the elemental composition through the chemical precursors. In this context, rational in silico design represents a powerful tool for mapping the vast materials landscape and accelerating discovery. Here we show that the optical band gap of metal-halide perovskites, a key design parameter for solar cells, strongly correlates with a simple structural feature, the largest metal-halide-metal bond angle. Using this descriptor we suggest continuous tunability of the optical gap from the mid-infrared to the visible. Precise band gap engineering is achieved by controlling the bond angles through the steric size of the molecular cation. On the basis of these design principles we predict novel low-gap perovskites for optimum photovoltaic efficiency, and we demonstrate the concept of band gap modulation by synthesising and characterising novel mixed-cation perovskites.
TL;DR: In this article, an electron beam treatment of commercial TiO2 (p-TiO2) nanoparticles was used to obtain visible light-active nanoparticles, which exhibited a distinct red-shift in the UV-visible absorption spectrum and a much narrower band gap (2.85 eV) due to defects.
Abstract: Visible light-active TiO2 (m-TiO2) nanoparticles were obtained by an electron beam treatment of commercial TiO2 (p-TiO2) nanoparticles. The m-TiO2 nanoparticles exhibited a distinct red-shift in the UV-visible absorption spectrum and a much narrower band gap (2.85 eV) due to defects as confirmed by diffuse reflectance spectroscopy (DRS), photoluminescence (PL), X-ray diffraction, Raman spectroscopy, electron paramagnetic resonance, transmission electron microscopy, X-ray photoelectron spectroscopy (XPS), electrochemical impedance spectroscopy (EIS) and linear scan voltammetry (LSV). The XPS revealed changes in the surface states, composition, Ti4+ to Ti3+ ratio, and oxygen deficiencies in the m-TiO2. The valence band XPS, DRS and PL results were carefully examined to understand the band gap reduction of m-TiO2. The visible light-responsive enhanced photocatalytic activity of m-TiO2 was demonstrated by degrading methylene blue and brilliant blue G. The EIS and LSV in the dark and under visible light irradiation further support the visible light-induced photocatalytic activities of the m-TiO2 due to a decrease in electron transfer resistance and an increase in photocurrent. This study confirms that m-TiO2 can be used effectively as a photocatalyst and photoelectrode material owing to its enhanced visible light-induced photocatalytic activity.
TL;DR: In this paper, a monolayer MoTe2 was shown to be a direct-gap semiconductor with an optical band gap of 1.10 eV, which extends the spectral range from the visible to the near-infrared.
Abstract: Single- and few-layer crystals of exfoliated MoTe2 have been characterized spectroscopically by photoluminescence, Raman scattering, and optical absorption measurements. We find that MoTe2 in the monolayer limit displays strong photoluminescence. On the basis of complementary optical absorption results, we conclude that monolayer MoTe2 is a direct-gap semiconductor with an optical band gap of 1.10 eV. This new monolayer material extends the spectral range of atomically thin direct-gap materials from the visible to the near-infrared.
TL;DR: This work demonstrates the chemical vapor deposition (CVD) growth of uniform MoSe2 monolayers under ambient pressure, resulting in large single crystalline islands, and shows n-type channel behavior with average mobility much higher than the 4-20 cm(2) V(-1) s-1 reported for vapor phase grown MoS2.
Abstract: Recently, two-dimensional layers of transition metal dichalcogenides, such as MoS2, WS2, MoSe2, and WSe2, have attracted much attention for their potential applications in electronic and optoelectronic devices. The selenide analogues of MoS2 and WS2 have smaller band gaps and higher electron mobilities, making them more appropriate for practical devices. However, reports on scalable growth of high quality transition metal diselenide layers and studies of their properties have been limited. Here, we demonstrate the chemical vapor deposition (CVD) growth of uniform MoSe2 monolayers under ambient pressure, resulting in large single crystalline islands. The photoluminescence intensity and peak position indicates a direct band gap of 1.5 eV for the MoSe2 monolayers. A back-gated field effect transistor based on MoSe2 monolayer shows n-type channel behavior with average mobility of 50 cm2 V–1 s–1, a value much higher than the 4–20 cm2 V–1 s–1 reported for vapor phase grown MoS2.
TL;DR: The anisotropic Raman response in few-layer phosphorene has enabled us to use an optical method to quickly determine the crystalline orientation without tunneling electron microscopy or scanning tunneling microscopy.
Abstract: Phosphorene is a new family member of two-dimensional materials. We observed strong and highly layer-dependent photoluminescence in few-layer phosphorene (two to five layers). The results confirmed the theoretical prediction that few-layer phosphorene has a direct and layer-sensitive band gap. We also demonstrated that few-layer phosphorene is more sensitive to temperature modulation than graphene and MoS2 in Raman scattering. The anisotropic Raman response in few-layer phosphorene has enabled us to use an optical method to quickly determine the crystalline orientation without tunneling electron microscopy or scanning tunneling microscopy. Our results provide much needed experimental information about the band structures and exciton nature in few-layer phosphorene.
TL;DR: In this paper, a series of semi-crystalline, low band gap (LBG) polymers and demonstrate the fabrication of highly efficient polymer solar cells (PSCs) in a thick single-cell architecture.
Abstract: We report a series of semi-crystalline, low band gap (LBG) polymers and demonstrate the fabrication of highly efficient polymer solar cells (PSCs) in a thick single-cell architecture. The devices achieve a power conversion efficiency (PCE) of over 7% without any post-treatment (annealing, solvent additive, etc.) and outstanding long-term thermal stability for 200 h at 130 °C. These excellent characteristics are closely related to the molecular structures where intra- and/or intermolecular noncovalent hydrogen bonds and dipole–dipole interactions assure strong interchain interactions without losing solution processability. The semi-crystalline polymers form a well-distributed nano-fibrillar networked morphology with PC70BM with balanced hole and electron mobilities (a h/e mobility ratio of 1–2) and tight interchain packing (a π–π stacking distance of 3.57–3.59 A) in the blend films. Furthermore, the device optimization with a processing additive and methanol treatment improves efficiencies up to 9.39% in a ∼300 nm thick conventional single-cell device structure. The thick active layer in the PPDT2FBT:PC70BM device attenuates incident light almost completely without damage in the fill factor (0.71–0.73), showing a high short-circuit current density of 15.7–16.3 mA cm−2. Notably, PPDT2FBT showed negligible changes in the carrier mobility even at ∼1 μm film thickness.
TL;DR: This work experimentally demonstrates a drastic enhancement in PL intensity for multilayer WSe2 (2-4 layers) under uniaxial tensile strain of up to 2%.
Abstract: Transition metal dichalcogenides, such as MoS2 and WSe2, have recently gained tremendous interest for electronic and optoelectronic applications. MoS2 and WSe2 monolayers are direct bandgap and show bright photoluminescence (PL), whereas multilayers exhibit much weaker PL due to their indirect optical bandgap. This presents an obstacle for a number of device applications involving light harvesting or detection where thicker films with direct optical bandgap are desired. Here, we experimentally demonstrate a drastic enhancement in PL intensity for multilayer WSe2 (2–4 layers) under uniaxial tensile strain of up to 2%. Specifically, the PL intensity of bilayer WSe2 is amplified by ∼35× , making it comparable to that of an unstrained WSe2 monolayer. This drastic PL enhancement is attributed to an indirect to direct bandgap transition for strained bilayer WSe2, as confirmed by density functional theory (DFT) calculations. Notably, in contrast to MoS2 multilayers, the energy difference between the direct and i...
TL;DR: In this paper, the longitudinal acoustic phonon limited electron mobility of 14 two dimensional semiconductors with composition of MX$_2, where M = Mo, W, Sn, Hf, Zr and Pt is the transition metal, and X is S, Se and Te.
Abstract: We calculated the longitudinal acoustic phonon limited electron mobility of 14 two dimensional semiconductors with composition of MX$_2$, where M (= Mo, W, Sn, Hf, Zr and Pt) is the transition metal, and X is S, Se and Te. We treated the scattering matrix by deformation potential approximation. We found that out of the 14 compounds, MoTe$_2$, HfSe$_2$ and HfTe$_2$, are promising regarding to the possible high mobility and finite band gap. The phonon limited mobility can be above 2500 cm$^2$V$^{-1}$s$^{-1}$ at room temperature.
TL;DR: In this paper, a GaAs-based top tandem solar cell structure was bonded to an InP-based bottom tandem cell with a difference in lattice constant of 3.7%.
Abstract: Triple-junction solar cells from III–V compound semiconductors have thus far delivered the highest solar-electric conversion efficiencies. Increasing the number of junctions generally offers the potential to reach even higher efficiencies, but material quality and the choice of bandgap energies turn out to be even more importance than the number of junctions. Several four-junction solar cell architectures with optimum bandgap combination are found for lattice-mismatched III–V semiconductors as high bandgap materials predominantly possess smaller lattice constant than low bandgap materials. Direct wafer bonding offers a new opportunity to combine such mismatched materials through a permanent, electrically conductive and optically transparent interface. In this work, a GaAs-based top tandem solar cell structure was bonded to an InP-based bottom tandem cell with a difference in lattice constant of 3.7%. The result is a GaInP/GaAs//GaInAsP/GaInAs four-junction solar cell with a new record efficiency of 44.7% at 297-times concentration of the AM1.5d (ASTM G173-03) spectrum. This work demonstrates a successful pathway for reaching highest conversion efficiencies with III–V multi-junction solar cells having four and in the future even more junctions. Copyright © 2014 John Wiley & Sons, Ltd.
TL;DR: It is demonstrated that larger crystallites present smaller band gap and longer lifetime, which correlates to a smaller radiative bimolecular recombination coefficient, and also shows that they present a higher optical gain, becoming preferred candidates for the realization of CW lasing devices.
Abstract: We report about the relationship between the morphology and luminescence properties of methylammonium lead trihalide perovskite thin films. By tuning the average crystallite dimension in the film from tens of nanometers to a few micrometers, we are able to tune the optical band gap of the material along with its photoluminescence lifetime. We demonstrate that larger crystallites present smaller band gap and longer lifetime, which correlates to a smaller radiative bimolecular recombination coefficient. We also show that they present a higher optical gain, becoming preferred candidates for the realization of CW lasing devices.
TL;DR: In this paper, the authors performed ab initio calculations for one-to four-layer black phosphorus within the $GW$ approximation, and obtained a significant difference in the band gap, which is in line with recent experimental data.
Abstract: By performing ab initio calculations for one- to four-layer black phosphorus within the $GW$ approximation, we obtain a significant difference in the band gap ($\ensuremath{\sim}$1.5 eV), which is in line with recent experimental data. The results are analyzed in terms of the constructed four-band tight-binding model, which gives accurate descriptions of the mono- and bilayer band structure near the band gap, and reveal an important role of the interlayer hoppings, which are largely responsible for the obtained gap difference.
TL;DR: This work has grown, for the first time, macroscopically large crystalline thin films of triazine-based, graphitic carbon nitride (TGCN) using an ionothermal, interfacial reaction starting with the abundant monomer dicyandiamide.
Abstract: Graphitic carbon nitride has been predicted to be structurally analogous to carbon-only graphite, yet with an inherent bandgap. We have grown, for the first time, macroscopically large crystalline thin films of triazine-based, graphitic carbon nitride (TGCN) using an ionothermal, interfacial reaction starting with the abundant monomer dicyandiamide. The films consist of stacked, two-dimensional (2D) crystals between a few and several hundreds of atomic layers in thickness. Scanning force and transmission electron microscopy show long-range, in-plane order, while optical spectroscopy, X-ray photoelectron spectroscopy, and density functional theory calculations corroborate a direct bandgap between 1.6 and 2.0 eV. Thus TGCN is of interest for electronic devices, such as field-effect transistors and light-emitting diodes.