Wyniki wyszukiwania dla: William A. Goddard

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Construction of a Pt‐CeO_x Interface for the Electrocatalytic Hydrogen Evolution Reaction

Shen‐Wei Yu, Soonho Kwon, Yizhen Chen, Zhenhua Xie, więcej

Advanced Functional Materials > 34 > 38 > n/a - n/a

The creation of metal‐metal oxide interfaces is an important approach to fine‐tuning catalyst properties through strong interfacial interactions. This article presents the work on developing interfaces between Pt and CeO_x that improve Pt surface energetics for the hydrogen evolution reaction (HER) within an alkaline electrolyte. The Pt‐CeO_x interfaces are formed by depositing size‐controlled Pt nanoparticles...

artykuł

Dynamical Performance of Graphene Aerogel with Ductile and Brittle Characteristics

Kailu Xiao, Wei Zhang, Mingquan Zhu, Qiuyun Yin, więcej

Advanced Functional Materials > 34 > 29 > n/a - n/a

Current research regarding the efficiency of ultra‐light graphene aerogel (GA) energy dissipation is limited to quasi‐static tests and simulations. The lack of direct dynamical experiments has impeded its utilization in fields of energy dissipation. Therefore, in this study, the high dynamic energy dissipation capability of GA with ultra‐low density is obtained directly from the experiment. It is...

artykuł

2D Metal/Graphene and 2D Metal/Graphene/Metal Systems for Electrocatalytic Conversion of CO₂ to Formic Acid

Jinwon Cho, Arturo Medina, Ines Saih, Ji Il Choi, więcej

Angewandte Chemie > 136 > 12 > n/a - n/a

Efficiently transforming CO₂ into renewable energy sources is crucial for decarbonization efforts. Formic acid (HCOOH) holds great promise as a hydrogen storage compound due to its high hydrogen density, non‐toxicity, and stability under ambient conditions. However, the electrochemical reduction of CO₂ (CO₂RR) on conventional carbon black‐supported metal catalysts faces challenges such as low stability...

artykuł

2D Metal/Graphene and 2D Metal/Graphene/Metal Systems for Electrocatalytic Conversion of CO₂ to Formic Acid

Jinwon Cho, Arturo Medina, Ines Saih, Ji Il Choi, więcej

Angewandte Chemie International Edition > 63 > 12 > n/a - n/a

artykuł

A Physical Model of Nanotwin Unit and Orientation Organization for Designing Mechanical Performance: Cases of InSb, GaAs, ZnS

Zhongtao Lu, Xiege Huang, Xiaolian Zhang, Pengchen Zhai, więcej

Advanced Functional Materials > 34 > 3 > n/a - n/a

Functional unit and organization (FUO) paradigm starts with functional units and assembles these functional units into specific organizations to optimize material performance. An advantage of FUO paradigm is interpretation of physical essence of traditional structure–performance relationships. Experimental achievements based on FUO paradigm abound in recent years, demanding theoretical explanations...

artykuł

Modular Functionalization of Metal‐Organic Frameworks for Nitrogen Recovery from Fresh Urine**

Lei Guo, Yi Zhang, Silvio Osella, Samuel M. Webb, więcej

Angewandte Chemie > 135 > 39 > n/a - n/a

Nitrogen recovery from wastewater represents a sustainable route to recycle reactive nitrogen (Nr). It can reduce the demand of producing Nr from the energy‐extensive Haber‐Bosch process and lower the risk of causing eutrophication simultaneously. In this aspect, source‐separated fresh urine is an ideal source for nitrogen recovery given its ubiquity and high nitrogen contents. However, current techniques...

artykuł

Modular Functionalization of Metal‐Organic Frameworks for Nitrogen Recovery from Fresh Urine**

Lei Guo, Yi Zhang, Silvio Osella, Samuel M. Webb, więcej

Angewandte Chemie International Edition > 62 > 39 > n/a - n/a

artykuł

Szybkie wykrywanie wirusa grypy we wczesnej fazie rozwoju za pomocą sensorów nanodiamentowych domieszkowanych borem

Dawid Nidzworski, Katarzyna Siuzdak, Paweł Niedziałkowski, Robert Bogdanowicz, więcej

Przegląd Telekomunikacyjny + Wiadomości Telekomunikacyjne > 2022 > nr 3 > 80--82

Przedstawiono konstrukcję i wyniki wstępnych badań szybkiego elektrochemicznego sensora wykonanego na bazie cienkich warstw nanokrystalicznego diamentu domieszkowanego borem, który umożliwia wykrywanie śladowych ilości wirusa grypy we wczesnej fazie rozwoju. Zapewnia to identyfikację ognisk pandemii.

artykuł

Addressing amorphization and transgranular fracture of B₄C through Si doping and TiB₂ microparticle reinforcing

Chawon Hwang, Jun Du, Qirong Yang, Azmi M. Celik, więcej

Journal of the American Ceramic Society > 105 > 5 > 2959 - 2977

Over the last two decades, many studies have contributed to improving our understanding of the brittle failure mechanisms of boron carbide and provided a road map for inhibiting the underlying mechanisms and improving the mechanical response of boron carbide. This paper provides a review of the design and processing approaches utilized to address the amorphization and transgranular fracture of boron...

artykuł

Models for the behavior of boron carbide in extreme dynamic environments

K. T. Ramesh, Lori Graham‐Brady, William A. Goddard, Ryan C. Hurley, więcej

Journal of the American Ceramic Society > 105 > 5 > 3043 - 3061

We describe models for the behavior of hot‐pressed boron carbide that is subjected to extreme dynamic environments such as ballistic impact. We first identify the deformation and failure mechanisms that are observed in boron carbide under such conditions, and then review physics‐based models for each of these mechanisms and the integration of these models into a single physics‐based continuum model...

artykuł

Strengthening boron carbide by doping Si into grain boundaries

Yidi Shen, Moon Young Yang, William A. Goddard, Qi An

Journal of the American Ceramic Society > 105 > 5 > 2978 - 2989

Grain boundaries, ubiquitous in real materials, play an important role in the mechanical properties of ceramics. Using boron carbide as a typical superhard but brittle material under hypervelocity impact, we report atomistic reactive molecular dynamics simulations using the ReaxFF reactive force field fitted to quantum mechanics to examine grain‐boundary engineering strategies aimed at improving the...

artykuł

Double‐Exchange‐Induced in situ Conductivity in Nickel‐Based Oxyhydroxides: An Effective Descriptor for Electrocatalytic Oxygen Evolution

Bailin Tian, Hyeyoung Shin, Shengtang Liu, Muchun Fei, więcej

Angewandte Chemie > 133 > 30 > 16584 - 16592

Motivated by in silico predictions that Co, Rh, and Ir dopants would lead to low overpotentials to improve OER activity of Ni‐based hydroxides, we report here an experimental confirmation on the altered OER activities for a series of metals (Mo, W, Fe, Ru, Co, Rh, Ir) doped into γ‐NiOOH. The in situ electrical conductivity for metal doped γ‐NiOOH correlates well with the trend in enhanced OER activities...

artykuł

Double‐Exchange‐Induced in situ Conductivity in Nickel‐Based Oxyhydroxides: An Effective Descriptor for Electrocatalytic Oxygen Evolution

Bailin Tian, Hyeyoung Shin, Shengtang Liu, Muchun Fei, więcej

Angewandte Chemie International Edition > 60 > 30 > 16448 - 16456

artykuł

First principles predicting enhanced ductility of boride carbide through magnesium microalloying

Bin Tang, Yi He, William A. Goddard, Qi An

Journal of the American Ceramic Society > 102 > 9 > 5514 - 5523

The low fracture toughness of strong covalent solids prevents them from wide engineering applications. Microalloying metal elements into covalent solids may lead to a significant improvement on mechanical properties and drastical changes on the chemical bonding. To illustrate these effects we employed density functional theory (DFT) to examine the bonding characteristic and mechanical failure of recently...

artykuł

A Highly Active Star Decahedron Cu Nanocatalyst for Hydrocarbon Production at Low Overpotentials

Chungseok Choi, Tao Cheng, Michelle Flores Espinosa, Huilong Fei, więcej

Advanced Materials > 31 > 6 > n/a - n/a

The electrochemical carbon dioxide reduction reaction (CO₂RR) presents a viable approach to recycle CO₂ gas into low carbon fuels. Thus, the development of highly active catalysts at low overpotential is desired for this reaction. Herein, a high‐yield synthesis of unique star decahedron Cu nanoparticles (SD‐Cu NPs) electrocatalysts, displaying twin boundaries (TBs) and multiple stacking faults, which...

artykuł

Locating Si atoms in Si-doped boron carbide: A route to understand amorphization mitigation mechanism

Atta U. Khan, Anthony M. Etzold, Xiaokun Yang, Vladislav Domnich, więcej

Acta Materialia > 2018 > 157 > C > 106-113

The well-documented formation of amorphous bands in boron carbide (B₄C) under contact loading has been identified in the literature as one of the possible mechanisms for its catastrophic failure. To mitigate amorphization, Si-doping was suggested by an earlier computational work, which was further substantiated by an experimental study. However, there have been discrepancies between theoretical and...

artykuł

Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding

Leah V. Sibener, Ricardo A. Fernandes, Elizabeth M. Kolawole, Catherine B. Carbone, więcej

Cell > 2018 > 174 > 3 > 672-687.e27

TCR-signaling strength generally correlates with peptide-MHC binding affinity; however, exceptions exist. We find high-affinity, yet non-stimulatory, interactions occur with high frequency in the human T cell repertoire. Here, we studied human TCRs that are refractory to activation by pMHC ligands despite robust binding. Analysis of 3D affinity, 2D dwell time, and crystal structures of stimulatory...

artykuł

Predictive simulation of non-steady-state transport of gases through rubbery polymer membranes

Marielle Soniat, Meron Tesfaye, Daniel Brooks, Boris Merinov, więcej

Polymer > 2018 > 134 > C > 125-142

A multiscale, physically-based, reaction-diffusion kinetics model is developed for non-steady-state transport of simple gases through a rubbery polymer. Experimental data from the literature, new measurements of non-steady-state permeation and a molecular dynamics simulation of a gas-polymer sticking probability for a typical system are used to construct and validate the model framework. Using no...

artykuł

Regulating Top‐Surface Multilayer/Single‐Crystal Graphene Growth by “Gettering” Carbon Diffusion at Backside of the Copper Foil

Irfan H. Abidi, Yuanyue Liu, Jie Pan, Abhishek Tyagi, więcej

Advanced Functional Materials > 27 > 23 > n/a - n/a

A unique strategy is reported to constrain the nucleation centers for multilayer graphene (MLG) and, later, single‐crystal graphene domains by gettering carbon source on backside of the flat Cu foil, during chemical vapor deposition. Hitherto, for a flat Cu foil, the top‐surface‐based growth mechanism is emphasized, while overlooking the graphene on the backside. However, the systematic experimental...

artykuł

Electrophilic RhI catalysts for arene H/D exchange in acidic media: Evidence for an electrophilic aromatic substitution mechanism

Michael S. Webster-Gardiner, Paige E. Piszel, Ross Fu, Bradley A. McKeown, więcej

Journal of Molecular Catalysis A: Chemical > 2017 > 426 > PB > 381-388

A series of new rhodium (I) complexes supported by bidentate nitrogen-donor ligands with varying electronic and steric properties were synthesized in situ and evaluated for catalytic arene C–H/D activation. In trifluoroacetic acid (HTFA), these complexes are proposed to mediate H/D exchange of arene C–H/D bonds by an electrophilic aromatic substitution mechanism that involves Rh-mediated activation...

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