Search Results - "Wan, Liwen F."
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The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy
Published in Science (American Association for the Advancement of Science) (14-11-2014)“…The molecular structure of the electrical double layer determines the chemistry in all electrochemical processes. Using x-ray absorption spectroscopy (XAS), we…”
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Mg Desolvation and Intercalation Mechanism at the Mo6S8 Chevrel Phase Surface
Published in Chemistry of materials (08-09-2015)“…In this work, we examine the Mg-ion desolvation and intercalation process at the Chevrel phase Mo6S8 cathode surface from first principles. It is reported that…”
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3
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
Published in Nature (London) (19-03-2015)“…The process of carbon capture and sequestration has been proposed as a method of mitigating the build-up of greenhouse gases in the atmosphere. If implemented,…”
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Nanoconfinement of Molecular Magnesium Borohydride Captured in a Bipyridine-Functionalized Metal–Organic Framework
Published in ACS nano (25-08-2020)“…The lower limit of metal hydride nanoconfinement is demonstrated through the coordination of a molecular hydride species to binding sites inside the pores of a…”
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Atomically Thin Interfacial Suboxide Key to Hydrogen Storage Performance Enhancements of Magnesium Nanoparticles Encapsulated in Reduced Graphene Oxide
Published in Nano letters (13-09-2017)“…As a model system for hydrogen storage, magnesium hydride exhibits high hydrogen storage density, yet its practical usage is hindered by necessarily high…”
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Edge-Functionalized Graphene Nanoribbon Encapsulation To Enhance Stability and Control Kinetics of Hydrogen Storage Materials
Published in Chemistry of materials (23-04-2019)“…Hydrogen is a long-term clean energy carrier that enables completely carbon-free energy production. However, practical implementation of hydrogen fuel…”
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A Mechanistic Analysis of Phase Evolution and Hydrogen Storage Behavior in Nanocrystalline Mg(BH4)2 within Reduced Graphene Oxide
Published in ACS nano (25-02-2020)“…Magnesium borohydride (Mg(BH4)2, abbreviated here MBH) has received tremendous attention as a promising onboard hydrogen storage medium due to its excellent…”
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Reversing the Irreversible: Thermodynamic Stabilization of LiAlH4 Nanoconfined Within a Nitrogen-Doped Carbon Host
Published in ACS nano (22-06-2021)“…A general problem when designing functional nanomaterials for energy storage is the lack of control over the stability and reactivity of metastable phases…”
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Cooperative adsorption of carbon disulfide in diamine-appended metal–organic frameworks
Published in Nature communications (03-12-2018)“…Over one million tons of CS 2 are produced annually, and emissions of this volatile and toxic liquid, known to generate acid rain, remain poorly controlled. As…”
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Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides
Published in Nature communications (01-11-2021)“…Layered boron compounds have attracted significant interest in applications from energy storage to electronic materials to device applications, owing in part…”
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Microstructural impacts on ionic conductivity of oxide solid electrolytes from a combined atomistic-mesoscale approach
Published in npj computational materials (21-12-2021)“…Although multiple oxide-based solid electrolyte materials with intrinsically high ionic conductivities have emerged, practical processing and synthesis routes…”
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Runaway Carbon Dioxide Conversion Leads to Enhanced Uptake in a Nanohybrid Form of Porous Magnesium Borohydride
Published in Advanced materials (Weinheim) (01-11-2019)“…Leveraging molecular‐level controls to enhance CO2 capture in solid‐state materials has received tremendous attention in recent years. Here, a new class of…”
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Identifying the Role of Dynamic Surface Hydroxides in the Dehydrogenation of Ti-Doped NaAlH4
Published in ACS applied materials & interfaces (06-02-2019)“…Solid-state metal hydrides are prime candidates to replace compressed hydrogen for fuel cell vehicles due to their high volumetric capacities. Sodium aluminum…”
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14
The Solvation Structure of Mg Ions in Dichloro Complex Solutions from First-Principles Molecular Dynamics and Simulated X‑ray Absorption Spectra
Published in Journal of the American Chemical Society (15-10-2014)“…The knowledge of Mg solvation structure in the electrolyte is requisite to understand the transport behavior of Mg ions and their dissolution/deposition…”
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Nanostructured Metal Hydrides for Hydrogen Storage
Published in Chemical reviews (28-11-2018)“…Knowledge and foundational understanding of phenomena associated with the behavior of materials at the nanoscale is one of the key scientific challenges toward…”
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Ion-Pair Dissociation on α‑MoO3 Surfaces: Focus on the Electrolyte–Cathode Compatibility Issue in Mg Batteries
Published in Journal of physical chemistry. C (11-01-2018)“…Nanosizing has been explored as one option to enhance typically sluggish Mg ion mobility in cathode materials. Here, we explore the effects of the surfaces of…”
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Building a Fast Lane for Mg Diffusion in α‑MoO3 by Fluorine Doping
Published in Chemistry of materials (11-10-2016)“…Following previous experimental work examining a layered oxyfluoride as cathode material for Mg-ion batteries [ Incorvati et al., Chem. Mater. 2016, 28, 17 ],…”
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Hydroxyl-Assisted Phosphorene Stabilization with Robust Device Performances
Published in Nano letters (08-01-2020)“…Phosphorene (few-layer black phosphorus) has been widely investigated for its unique optical and electronic properties. However, it is challenging to…”
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First-Principles Elucidation of Initial Dehydrogenation Pathways in Mg(BH4)2
Published in The journal of physical chemistry letters (03-03-2022)“…Complex borohydrides such as Mg(BH4)2 offer one of highest capacities to chemically store hydrogen for onboard applications; however, it suffers greatly from…”
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Beyond Idealized Models of Nanoscale Metal Hydrides for Hydrogen Storage
Published in Industrial & engineering chemistry research (01-04-2020)“…Metal hydrides are attractive for compact, low-pressure hydrogen storage, yet a foundational understanding of factors governing their thermodynamics and…”
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