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Chrzan, Daryl C.

Publications and source records attributed to Chrzan, Daryl C..

15 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Meter-scale van der Waals films manufactured via one-step roll printing

A weak van der Waals (vdW) force in layered materials enables their isolation into thin flakes through mechanical exfoliation while sustaining their intrinsic electronic and optical properties. Here, we introduce a universal roll-printing method capable of producing vdW multilayer films on wafer-to-meter scale. This process uses sequential exfoliation and transfer of layered materials from the powder sources to target substrates through a repeated rolling of a cylindrical metal drum. We achieve uniformly coated films with a library of vdW powders on various mechanically rigid and flexible substrates. The printed films are configured into different devices including light-emitting diodes and photodetectors. The presented technique offers substantial benefits in terms of cost efficiency and a low thermal budget while offering high material quality.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ab initio property predictions of quinary solid solutions using small binary cells

The Set of Small Ordered Structures (SSOS) approach is an ab initio technique for modelling random solid solutions in which many small structures are averaged so that their correlation functions match those of a desired composition. SSOS has been shown to be effective in reducing the cost of density functional theory calculations relative to other well-known techniques such as cluster expansions and special quasirandom structures for modelling solid solutions. Here in this work, we demonstrate that SSOS’s can be constructed using cells with only a subset of elements while still accurately modelling multi-component systems. Specifically, we show that small binary cells can effectively model two quinary high entropy alloys – NbTaTiHfZr and MoNbTaVW – accurately capturing properties such as formation energy, lattice parameters, elastic constants, and root-mean-square atomic displacements. Overall, this insight is useful for those looking to construct databases of such small structures for predicting the properties of multi-component solid solutions, as it greatly decreases the number of structures that needs to be considered.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Polymorphic structure of $\langle a \rangle$-type screw dislocation cores in $\alpha$-Ti

The dislocation core structure has a significant role in determining the dominant slip plane and the magnitude of the Peierls stress for a dislocation. An important challenge when studying dislocation cores is to determine the stable and metastable core morphologies, and then relate these structures to the dynamics of the dislocations. ere this study introduces a method for identifying core structures that are metastable at zero temperature. Application of this method to $\langle$a$\rangle$-type screw dislocations in α-Ti (as described using an empirical potential) reveals a multitude of (meta)stable nonplanar cores. Molecular dynamics studies show how the competing metastable core structures determine the properties of the dislocations at temperature and under a range of non-Schmid stresses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Orientated Growth of Ultrathin Tellurium by van der Waals Epitaxy

Abstract Tellurium, as an elemental van der Waals semiconductor, has intriguing anisotropic physical properties owing to its inherent 1D crystal structure. To exploit the anisotropic and thickness‐dependent behavior, it is important to realize orientated growth of ultrathin tellurium. Here, van der Waals epitaxial growth of Te on the surface of 2D transition metal dichalcogenides is systematically investigated. Orientated growth of Te with a thickness down to 5 nm is realized on three‐fold symmetric substrates (WSe 2 , WS 2 , MoSe 2 , and MoS 2 ), where the atomic chains of Te are aligned with the armchair directions of substrates. 1D/2D moiré superlattices are observed for the Te/WSe 2 heterostructure. This method is extended to the growth of SeTe alloys, providing flexibility for band engineering. Finally, growth of textured Te film is demonstrated on the lower‐symmetry surface of WTe 2 .

Zhao, Chunsong↗
DOE OSTI2021

Elimination of oxygen sensitivity in α-titanium by substitutional alloying with Al

Individually, increasing the concentration of either oxygen or aluminum has a deleterious effect on the ductility of titanium alloys. For example, extremely small amounts of interstitial oxygen can severely deteriorate the tensile ductility of titanium, particularly at cryogenic temperatures. Likewise, substitutional aluminum will decrease the ductility of titanium at low-oxygen concentrations. Here, we demonstrate that, counter-intuitively, significant additions of both Al and O substantially improves both strength and ductility, with a 6-fold increase in ductility for a Ti-6Al-0.3 O alloy as compared to a Ti-0.3 O alloy. The Al and O solutes act together to increase and sustain a high strain-hardening rate by modifying the planar slip that predominates into a delocalized, three-dimensional dislocation pattern. Furthermore, the mechanism can be attributed to decreasing stacking fault energy by Al, modification of the “shuffle” mechanism of oxygen-dislocation interaction by the repulsive Al-O interaction in Ti, and micro-segregation of Al and O by the same cause.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Mechanistic basis of oxygen sensitivity in titanium

One of the most potent examples of interstitial solute strengthening in metal alloys is the extreme sensitivity of titanium to small amounts of oxygen. Unfortunately, these small amounts of oxygen also lead to a markedly decreased ductility, which in turn drives the increased cost to purify titanium to avoid this oxygen poisoning effect. Here, we report a systematic study on the oxygen sensitivity of titanium that provides a clear mechanistic view of how oxygen impurities affect the mechanical properties of titanium. The increased slip planarity of Ti-O alloys is caused by an interstitial shuffling mechanism, which is sensitive to temperature, strain rate, and oxygen content and leads to the subsequent alteration of deformation twinning behavior. The insights from our experimental and computational work provide a rationale for the design of titanium alloys with increased tolerance to variations in interstitial content, with notable implications for more widespread use of titanium alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Direct imaging of short-range order and its impact on deformation in Ti-6Al

Chemical short-range order (SRO) within a nominally single-phase solid solution is known to affect the mechanical properties of alloys. While SRO has been indirectly related to deformation, direct observation of the SRO domain structure, and its effects on deformation mechanisms at the nanoscale, has remained elusive. Here, we report the direct observation of SRO in relation to deformation using energy-filtered imaging in a transmission electron microscope (TEM). The diffraction contrast is enhanced by reducing the inelastically scattered electrons, revealing subnanometer SRO-enhanced domains. The destruction of these domains by dislocation planar slip is observed after ex situ and in situ TEM mechanical testing. These results confirm the impact of SRO in Ti-Al alloys on the scale of angstroms. The direct confirmation of SRO in relationship to dislocation plasticity in metals can provide insight into how the mechanical behavior of concentrated solid solutions by the material’s thermal history.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Helical van der Waals crystals with discretized Eshelby twist

The ability to manipulate the twisting topology of van der Waals structures offers a new degree of freedom through which to tailor their electrical and optical properties. The twist angle strongly affects the electronic states, excitons and phonons of the twisted structures through interlayer coupling, giving rise to exotic optical, electric and spintronic behaviours1,2,3,4,5. In twisted bilayer graphene, at certain twist angles, long-range periodicity associated with moiré patterns introduces flat electronic bands and highly localized electronic states, resulting in Mott insulating behaviour and superconductivity3,4. Theoretical studies suggest that these twist-induced phenomena are common to layered materials such as transition-metal dichalcogenides and black phosphorus6,7. Twisted van der Waals structures are usually created using a transfer-stacking method, but this method cannot be used for materials with relatively strong interlayer binding. Facile bottom-up growth methods could provide an alternative means to create twisted van der Waals structures. Here we demonstrate that the Eshelby twist, which is associated with a screw dislocation (a chiral topological defect), can drive the formation of such structures on scales ranging from the nanoscale to the mesoscale. In the synthesis, axial screw dislocations are first introduced into nanowires growing along the stacking direction, yielding van der Waals nanostructures with continuous twisting in which the total twist rates are defined by the radii of the nanowires. Further radial growth of those twisted nanowires that are attached to the substrate leads to an increase in elastic energy, as the total twist rate is fixed by the substrate. The stored elastic energy can be reduced by accommodating the fixed twist rate in a series of discrete jumps. This yields mesoscale twisting structures consisting of a helical assembly of nanoplates demarcated by atomically sharp interfaces with a range of twist angles. We further show that the twisting topology can be tailored by controlling the radial size of the structure.

Liu, Yin↗
DOE OSTI2019

Synthetic WSe 2 monolayers with high photoluminescence quantum yield

In recent years, there have been tremendous advancements in the growth of monolayer transition metal dichalcogenides (TMDCs) by chemical vapor deposition (CVD). However, obtaining high photoluminescence quantum yield (PL QY), which is the key figure of merit for optoelectronics, is still challenging in the grown monolayers. Specifically, the as-grown monolayers often exhibit lower PL QY than their mechanically exfoliated counterparts. In this work, we demonstrate synthetic tungsten diselenide (WSe 2 ) monolayers with PL QY exceeding that of exfoliated crystals by over an order of magnitude. PL QY of ~60% is obtained in monolayer films grown by CVD, which is the highest reported value to date for WSe 2 prepared by any technique. The high optoelectronic quality is enabled by the combination of optimizing growth conditions via tuning the halide promoter ratio, and introducing a simple substrate decoupling method via solvent evaporation, which also mechanically relaxes the grown films. The achievement of scalable WSe 2 with high PL QY could potentially enable the emergence of technologically relevant devices at the atomically thin limit.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Strain-engineered growth of two-dimensional materials

The application of strain to semiconductors allows for controlled modification of their band structure. This principle is employed for the manufacturing of devices ranging from high-performance transistors to solid-state lasers. Traditionally, strain is typically achieved via growth on lattice-mismatched substrates. For two-dimensional (2D) semiconductors, this is not feasible as they typically do not interact epitaxially with the substrate. Here in this paper, we demonstrate controlled strain engineering of 2D semiconductors during synthesis by utilizing the thermal coefficient of expansion mismatch between the substrate and semiconductor. Using WSe 2 as a model system, we demonstrate stable built-in strains ranging from 1% tensile to 0.2% compressive on substrates with different thermal coefficient of expansion. Consequently, we observe a dramatic modulation of the band structure, manifested by a strain-driven indirect-to-direct bandgap transition and brightening of the dark exciton in bilayer and monolayer WSe 2 , respectively. The growth method developed here should enable flexibility in design of more sophisticated devices based on 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Direct growth of single-crystalline III–V semiconductors on amorphous substrates

The III–V compound semiconductors exhibit superb electronic and optoelectronic properties. Traditionally, closely lattice-matched epitaxial substrates have been required for the growth of high-quality single-crystal III–V thin films and patterned microstructures. To remove this materials constraint, here we introduce a growth mode that enables direct writing of single-crystalline III–V’s on amorphous substrates, thus further expanding their utility for various applications. The process utilizes templated liquid-phase crystal growth that results in user-tunable, patterned micro and nanostructures of single-crystalline III–V’s of up to tens of micrometres in lateral dimensions. InP is chosen as a model material system owing to its technological importance. The patterned InP single crystals are configured as high-performance transistors and photodetectors directly on amorphous SiO 2 growth substrates, with performance matching state-of-the-art epitaxially grown devices. In conclusion, the work presents an important advance towards universal integration of III–V’s on application-specific substrates by direct growth.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Oriented Growth of Gold Nanowires on MoS 2

Layered 2D materials serve as a new class of substrates for templated synthesis of various nanomaterials even with highly dissimilar crystal structures; thus overcoming the lattice constraints of conventional epitaxial processes. Here, molybdenum disulfide (MoS 2 ) is used as a prototypical model substrate for oriented growth of in-plane Au nanowires (NWs) despite the nearly 8% lattice mismatch between MoS 2 and Au. Au NWs on the MoS 2 surface are oriented along three symmetrically equivalent directions within the substrate arising from the strong Au-S binding that templates the oriented growth. Here, the kinetics of the growth process are explored through experiments and modeling. Strong charge transfer is observed between Au NWs and MoS 2 , resulting in degenerate p-doping of MoS 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2013

A direct thin-film path towards low-cost large-area III-V photovoltaics

III-V photovoltaics (PVs) have demonstrated the highest power conversion efficiencies for both single- and multi-junction cells. However, expensive epitaxial growth substrates, low precursor utilization rates, long growth times, and large equipment investments restrict applications to concentrated and space photovoltaics (PVs). Here, we demonstrate the first vapor-liquid-solid (VLS) growth of high-quality III-V thin-films on metal foils as a promising platform for large-area terrestrial PVs overcoming the above obstacles. We demonstrate 1–3 mm thick InP thin-films on Mo foils with ultra-large grain size up to 100 mm, which is ,100 times larger than those obtained by conventional growth processes. The films exhibit electron mobilities as high as 500 cm2 /V-s and minority carrier lifetimes as long as 2.5 ns. Furthermore, under 1-sun equivalent illumination, photoluminescence efficiency measurements indicate that an open circuit voltage of up to 930 mV can be achieved, only 40 mV lower than measured on a single crystal reference wafer.

14 SOLAR ENERGY↗