Sarbajit Banerjee's research while affiliated with Texas A&M University and other places

Publications (305)

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The origins of performance degradation in batteries can be traced to atomistic phenomena, accumulated at mesoscale dimensions, and compounded up to the level of electrode architectures. Hyperspectral X-ray spectromicroscopy techniques allow for the mapping of compositional variations, and phase separation across length scales with high spatial and...
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Owing to its pronounced metal-insulator transition at ∼340 K, vanadium dioxide (VO2) has emerged as a promising candidate material to emulate neuronal logic and memory functions for neuromorphic computing applications. For viable implementation into practical devices, it is critical to understand the fundamental mechanical behavior of VO2 during th...
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Neuromorphic computing requires materials able to yield electronic switching behavior in response to external stimuli. Transition-metal dichalcogenides surfaces covered by partial or full monolayers of molecular species have shown promise due to their potential for tunable interfacial charge transfer. Here, we demonstrate a class of molecules able...
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Ladder-type thiazole-fused S,N-heteroacenes with an extended π-conjugation consisting of six (SN6-Tz) and nine (SN9-Tz) fused aromatic rings have been synthesized and fully characterized. To date, the synthesis of well-defined fused building blocks and polymers of π-conjugated organic compounds based on the thiazole moiety is a considerable synthet...
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In many intercalation electrodes of Li-ion batteries, lithiation induces distortive structural transformations with substantial implications for stress accumulation, capacity loss, and degraded rate performance. Here, we dope a phase-transforming electrode to stabilize a structure bearing considerable similarities to the initially lithiated phase....
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Oil production in the Permian Basin gives rise to large volumes of produced water contaminated by silt, emulsified oil, and additives used for enhanced oil recovery. There is intense interest in the design of membrane modules as sustainable alternatives for produced water treatment to enable reuse of produced water for agricultural applications, in...
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Future‐generation neuromorphic computing seeks to overcome the limitations of von Neumann architectures by co‐locating logic and memory functions, thereby emulating the function of neurons and synapses in the human brain. Despite remarkable demonstrations of high‐fidelity neuronal emulation, the predictive design of neuromorphic circuits starting f...
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Calcium sulfoaluminate cement (CSA) has garnered attention in the construction industry as a low carbon footprint binder. CSA-kaolinite is a potential building material of the future and holds promise as a sustainable cement-based concrete. While the macroscopic properties of CSA cement have been extensively investigated, the nanomechanical propert...
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Macrocyclic molecules, such as cyclodextrins, possess selective host-guest binding properties and can be incorporated into larger architectures for adsorption or sensing applications. An inverse emulsion approach was developed for the synthesis of crosslinked polymer nanoparticles of cyclodextrins (CD-PNP) without the employment of any additional l...
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We use single-crystal-to-single-crystal transformations to directly image with sub-angstrom resolution distortions of the host lattice, Li site occupancies, and diffusion pathways in a 2D metastable intercalation material. We capture atomistic descriptions of Li-ion diffusion pathways and reconstruct a Li-eye view of available interstitial sites th...
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The metal-to-insulator transition of VO2 underpins applications in thermochromics, neuromorphic computing, and infrared vision. Ge alloying is shown to elevate the transition temperature by promoting V—V dimerization, thereby expanding the...
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Automated particle segmentation and feature analysis of experimental image data are indispensable for data-driven material science. Deep learning-based image segmentation algorithms are promising techniques to achieve this goal but are challenging to use due to the acquisition of a large number of training images. In the present work, synthetic ima...
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Textured surfaces are commonly designed to preclude wetting by water. The design of surfaces that are not wetted by alcohols represents a considerable challenge given the low surface tension, viscosity, and density of these liquids. Herein, we present a hierarchically textured plastronic architecture that can suspend alcohol droplets in a metastabl...
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Lithium-ion batteries are yet to realize their full promise because of challenges in the design and construction of electrode architectures that allow for their entire interior volumes to be reversibly accessible for ion storage. Electrodes constructed from the same material and with the same specifications, which differ only in terms of dimensions...
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Establishing human habitation on the Moon or Mars requires the development of a palette of interconnected reaction chemistries to transform their native soils into structural metals, fuels, propellants, and load-bearing forms. This article outlines key research needs relevant to the fundamental chemistry of in situ resource utilization.
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Significance The function of cathode materials is determined by factors transcending decades of length scales, spanning the range from the crystal structure and composition of the compound to the dimensions and morphologies of the particles, their connectivity with other particles and with the conductive matrix, and their spatial location relative...
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An increasing global population and a sharply upward trajectory of per capita energy consumption continue to drive the demand for fossil fuels, which remain integral to energy grids and the global transportation infrastructure. The oil and gas industry is increasingly reliant on unconventional deposits such as heavy crude oil and bitumen for reason...
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The atomistic design of positive electrode materials requires understanding of (1) how guest cations diffuse through an intercalation host to fill empty interstices and (2) the distortions of the host lattice induced as a result of ion intercalation. Here, we report the use of topochemistry to access single-crystals of a metastable 2D van der Waals...
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Low-cost and scalable superhydrophobic coating methods provide viable approaches for energy-efficient separation of immiscible liquid/liquid mixtures. A scalable photopolymerization method is developed to functionalize porous substrates with a hybrid coating of tetrapodal ZnO (T-ZnO) and polymethacrylate, which exhibits simultaneous superhydrophobi...
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The characteristic metal–insulator phase transition (MIT) in vanadium dioxide results in nonlinear electrical transport behavior, allowing VO2 devices to imitate the complex functions of neurological behavior. Chemical doping is an established method for varying the properties of the MIT, and interstitial dopant boron has been shown to generate a u...
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Negative-emissions technologies to capture atmospheric greenhouse gases are urgently needed to achieve ambitious global emissions targets and limit the catastrophic long-term effects of climate change. This Voices asks: do you feel there are any misconceptions or myths surrounding the goal of achieving negative emissions and how it is discussed in...
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A continuous increase in the global demand for liquid fuels has led to increased reliance on unconventional sources of fossil fuels such as bitumen. The extraction, midstream transportation, and ultimate processing of heavy oils presents a distinctive set of challenges. For example, the high viscosity of bitumen poses a challenge to its transportat...
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The decarbonization of heavy industry and the emergence of renewable energy technologies are inextricably linked to access to mineral resources. As such, there is an urgent need to develop benchmarked assessments of the role of critical elements in reducing greenhouse gas emissions. Here, we explore the role of vanadium in decarbonizing constructio...
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Automatized object identification and feature analysis of experimental image data are indispensable for data-driven material science; deep-learning-based segmentation algorithms have been shown to be a promising technique to achieve this goal. However, acquiring high-resolution experimental images and assigning labels in order to train such algorit...
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Fluoride-ion batteries are an attractive energy storage concept analogous to lithium-ion batteries but feature an inverted paradigm where anions are the principal charge carriers. Insertion hosts that can reversibly insert fluoride ions at room temperature are exceedingly sparse. Here, we report that topochemical insertion of fluoride ions in FeSb2...
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It is urgently desired yet challenging to synthesize porous graphitic carbon (PGC) in a bottom-up manner while circumventing the need for high-temperature pyrolysis. Here we present an effective and scalable strategy to synthesize PGC through acid-mediated aldol triple condensation followed by low-temperature graphitization. The deliberate structur...
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The unique mechanical properties and transport features of grain boundaries (GBs) in polycrystalline materials:have been widely investigated. However, studies which focus on the unique chemo-mechanics phenomena resulting from GBs’ are exceedingly sparse. In this work, a thermodynamically consistent framework has been developed to explore the multi-...
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Mixed anion compounds afford considerable compositional diversity and tunability of function. A challenging aspect of anion control of properties of periodic solids is to preserve the crystal lattice while substituting for different anions of widely varying size and hardness. Post-synthetic modification routes that place cations or anions in non-eq...
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Topochemical halide ion replacement in lanthanide oxyiodide nanostructures proceeds with complete preservation of the tetragonal matlockite crystal structure along a gradient of increasing anion hardness. Reformation of the anion lattice around the intact cation slabs impedes ⁵D3-⁵D4 phonon-assisted cross relaxation and is observed as a distinctive...
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Steel-reinforced concrete is ubiquitously used in construction across the world. The United Nations estimates that the worldwide energy consumption of buildings accounts for 30—40% of global energy production, underlining the importance of the judicious selection of construction materials. Much effort has focused on the use of high-strength low-all...
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The design of earth-abundant electrocatalysts that can facilitate water splitting at low overpotentials, provide high current densities, and enable prolonged operational lifetimes is central to the production of sustainable fuels. The distinctive atomistic and electronic structure characteristics of the edges of MoS2 imbue high reactivity toward th...
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Elucidating the interactions between metal ions and dissolved organic matter and deciphering mechanisms for their mineralization in the aquatic environment are central to understanding the speciation, transport, and toxicity of nanoparticles (NPs). Herein, we examine the interactions between Ag+ and Au3+ ions in mixed solutions (χAg = 0.2, 0.5, and...
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The construction industry bears a massive carbon footprint that is largely derived from the carbon-intensive nature of key structural materials. Microalloying of structural steel represents an underappreciated strategy for enabling greater economy of materials use and thus reducing carbon emissions. Policy implemented after the Sichuan Earthquake h...
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Benzothiadiazole (BT) and its derivatives have been widely used as strong acceptors for enhancing π-stacking and improving the charge carrier transport properties in optoelectronic applications.
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The electron-deficient thiazole moiety has high planarity and effective π–π stacking, which leads to the reduction in the energy levels, exhibiting promising charge carrier mobilities.
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The presence of H2O has been linked to enhancements in the reactivity of cathodes for Mg2+ electrochemistry. If the enhancements were mimicked by nonaqueous solvents, they could enable Mg batteries with transformational energy density. However, the extent to which H2O may boost actual intercalation of Mg2+, as opposed to competing reactions, has no...
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V 2 O 5 is of interest as a Mg intercalation electrode material for Mg batteries, both in its thermodynamically stable layered polymorph (α-V 2 O 5) and in its metastable tunnel structure (ζ-V 2 O 5). However, such oxide cathodes typically display poor Mg insertion/removal kinetics, with large voltage hysteresis. Herein, we report the synthesis and...
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Through diversity of composition, sequence, and interfacial structure, hybrid materials greatly expand the palette of materials available to access novel functionality. The NSF Division of Materials Research recently supported a workshop (October 17–18, 2019) aiming to (1) identify fundamental questions and potential solutions common to multiple di...
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Intercalation-induced phase transformations in Li-ion battery electrode materials give rise to multi-phase coexistence regimes within individual particles, generating significant lattice coherency strain across dynamically evolving interfaces. We demonstrate here that the lattice coherency strain can be alleviated by leveraging the coupling of elec...
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The operation of a Li-ion battery involves a concerted sequence of mass and charge transport processes, which are underpinned by alternating dilation/contraction of the active electrode materials. Several Li-ion battery failure mechanisms can be directly traced to lattice-mismatch strain arising from local compositional heterogeneities. The mechani...
Preprint
p>The manuscript presents a detailed analysis of embodied energy and carbon footprint reduction enabled by microalloying of steel, thereby providing a rich global perspective of the (outsized) role of chemical elements added in trace concentrations on the overall footprint of the construction industry. As such, the manuscript addresses an important...
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A facile synthetic method is developed to afford cyclodextrin-derived polymer networks that exhibit high selectivity in capturing certain organic compounds in water. The sustainable and scalable synthesis, together with the highly robust adsorption performance enables efficient removal and/or separation of organic molecules from aqueous solution in...
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As a result of the increasing emphasis on accessing unconventional deposits of heavy oil and bitumen to meet global energy needs, there is intense focus on addressing the rheological challenges involved in the transportation, handling, and processing of viscous hydrocarbons. While the design of superhydrophobic surfaces has been extensively explore...
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Solar fuel generation mediated by semiconductor heterostructures represents a promising strategy for sustainable energy conversion and storage. The design of semiconductor heterostructures for photocatalytic energy conversion requires the separation of photogenerated charge carriers in real space and their delivery to active catalytic sites at the...
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Transformations between different atomic configurations of a material oftentimes bring about dramatic changes in func-tional properties as a result of the simultaneous alteration of both atomistic and electronic structure. The control of transformation barriers between polytypes is generally an immutable process tunable through compositional modifi...
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Data-driven approaches have brought about a revolution in manufacturing; however, their application to the deterministic navigation of reaction trajectories to stabilize crystalline solids with precise composition, atomic connectivity, microstructural dimensionality, and surface structure remains much more challenging. The design of synthetic metho...
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Stereochemical active lone pairs of electrons in plays an important role in diverse range of physical phenomena in a plethora of materials, ranging from semiconducting halide perovskites to thermochromic inorganic-organic hybrids. In this paper, we demonstrate the importance of the 6s² lone pair on the reversible thermochromic transition in the mix...
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An energy storage paradigm orthogonal to Li-ion battery chemistries can be conceptualized by employing anions as the primary charge carriers. F-ion conversion chemistries show promise but have limited cyclability as a result of the significant change in volume of active electrodes upon metal–metal-fluoride interconversion. In contrast, the explorat...
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We present a study of optical modulation by the effect of temperature-induced insulator-to-metal phase transition of vanadium dioxide (VO2) nanocrystals deposited in an antiresonance hollow-core fiber (AR-HCF). We fabricate such a VO2-coated fiber by embedding alkylsilane functionalized VO2 nanocrystals into the air holes of an AR-HCF. With this fi...
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The diffusion pathways of Li‐ions as they traverse cathode structures in the course of insertion reactions underpin many questions fundamental to the functionality of Li‐ion batteries. Much current knowledge derives from computational models or the imaging of lithiation behavior at larger length scales; however, it remains difficult to experimental...
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Large single crystals of a cathode material have been grown and then discharged (up to high depths of discharge) and then charged without pulverization, providing high-resolution crystal structures delineating not just lattice sites occupied by Li ions but also the precise atomistic pathways that Li ions traverse through the lattice. The derived an...
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For transportation of hydrocarbon liquids via pipelines, reducing the frictional forces between internal walls and viscous oils through modification of the interfacial surface chemistry and topography represents a key imperative, enabling viscous oil flow at lower temperatures while mitigating the need for diluents. While drag reduction of aqueous...
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The disproportionation of H2O into solar fuels H2 and O2, or water splitting, is a promising strategy for clean energy harvesting and storage but requires the concerted action of absorption of photons, separation of excitons, charge diffusion to catalytic sites and catalysis of redox processes. It is increasingly evident that the rational design of...
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The construction industry is being buffeted by winds of change, balancing the urgent need to remedy deteriorating infrastructure in the developed world and the push to build new infrastructure in emerging economies whilst devising means to better its catastrophic carbon footprint. Much of the deleterious environmental impact of construction derives...
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Macrocyclic molecules possess preorganised cavities that inherently enable them to bind volatile small molecules that are complementary in size and shape. Integrating such macrocyclic receptors with an electrical signal transductor represents a promising strategy to fabricate electrical vapour sensors with high selectivity and sensitivity. The appl...
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Silicon circuitry has dominated the semiconductor industry for decades but is constrained in its power efficiency by the Fermi-Dirac distribution of electron energies. Electron-correlated transition metal oxides exhibiting metal-to-insulator transitions (MITs) are excellent candidates for energy-efficient computation, which can further emulate the...
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We synthesized a new class of heterostructures by depositing CdS, CdSe, or CdTe quantum dots (QDs) onto α-V2O5 nanowires (NWs) via either successive ionic layer adsorption and reaction (SILAR) or linker-assisted assembly (LAA). SILAR yielded the highest loadings of QDs per NW, whereas LAA enabled better control over the size and properties of QDs....
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The utilization of metallic anodes holds promise for unlocking high gravimetric and volumetric energy densities and is pivotal to the adoption of ‘beyond Li’ battery chemistries. Much of the promise of magnesium batteries stems from claims regarding their invulnerability to dendrite growth. Whilst considerable effort has been invested in the design...
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The increasing reliance on steam-assisted gravity drainage (SAGD) to access unconventional bitumen deposits within the sub-Arctic necessitates the development of robust cement sheaths for oilwell cementing. Such cement sheaths can potentially increase the energy efficiency of the SAGD process by reducing heat loss while maintaining mechanical integ...
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Metastable materials that represent excursions from thermodynamic minima are characterized by distinctive structural motifs and electronic structure, which frequently underpins new function. The binary oxides of hafnium present a rich diversity of crystal structures and are of considerable technological importance given their high dielectric consta...
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Processing, storing, and transmitting information accounts for ∼10% of global energy use; projections suggest that computational energy demands will be 10× higher than the projected global energy supply by 2040. Realizing solid-state analogs of neural circuitry, using ‘neuromorphic’ materials, holds promise for enabling a new energy-efficient compu...