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Accelerated discovery of CO2 electrocatalysts using active machine learning 期刊论文
NATURE, 2020, 581 (7807) : 178-+
作者:  Lan, Jun;  Ge, Jiwan;  Yu, Jinfang;  Shan, Sisi;  Zhou, Huan;  Fan, Shilong;  Zhang, Qi;  Shi, Xuanling;  Wang, Qisheng;  Zhang, Linqi;  Wang, Xinquan
收藏  |  浏览/下载:89/0  |  提交时间:2020/07/03

The rapid increase in global energy demand and the need to replace carbon dioxide (CO2)-emitting fossil fuels with renewable sources have driven interest in chemical storage of intermittent solar and wind energy(1,2). Particularly attractive is the electrochemical reduction of CO2 to chemical feedstocks, which uses both CO2 and renewable energy(3-8). Copper has been the predominant electrocatalyst for this reaction when aiming for more valuable multi-carbon products(9-16), and process improvements have been particularly notable when targeting ethylene. However, the energy efficiency and productivity (current density) achieved so far still fall below the values required to produce ethylene at cost-competitive prices. Here we describe Cu-Al electrocatalysts, identified using density functional theory calculations in combination with active machine learning, that efficiently reduce CO2 to ethylene with the highest Faradaic efficiency reported so far. This Faradaic efficiency of over 80 per cent (compared to about 66 per cent for pure Cu) is achieved at a current density of 400 milliamperes per square centimetre (at 1.5 volts versus a reversible hydrogen electrode) and a cathodic-side (half-cell) ethylene power conversion efficiency of 55 +/- 2 per cent at 150 milliamperes per square centimetre. We perform computational studies that suggest that the Cu-Al alloys provide multiple sites and surface orientations with near-optimal CO binding for both efficient and selective CO2 reduction(17). Furthermore, in situ X-ray absorption measurements reveal that Cu and Al enable a favourable Cu coordination environment that enhances C-C dimerization. These findings illustrate the value of computation and machine learning in guiding the experimental exploration of multi-metallic systems that go beyond the limitations of conventional single-metal electrocatalysts.


  
Iron-based binary ferromagnets for transverse thermoelectric conversion 期刊论文
NATURE, 2020, 581 (7806) : 53-+
作者:  Grun, Rainer;  Pike, Alistair;  McDermott, Frank;  Eggins, Stephen;  Mortimer, Graham;  Aubert, Maxime;  Kinsley, Lesley;  Joannes-Boyau, Renaud;  Rumsey, Michael;  Denys, Christiane;  Brink, James;  Clark, Tara;  Stringer, Chris
收藏  |  浏览/下载:31/0  |  提交时间:2020/07/03

Aluminium- and gallium-doped iron compounds show a large anomalous Nernst effect owing to a topological electronic structure, and their films are potentially suitable for designing low-cost, flexible microelectronic thermoelectric generators.


Thermoelectric generation using the anomalous Nernst effect (ANE) has great potential for application in energy harvesting technology because the transverse geometry of the Nernst effect should enable efficient, large-area and flexible coverage of a heat source. For such applications to be viable, substantial improvements will be necessary not only for their performance but also for the associated material costs, safety and stability. In terms of the electronic structure, the anomalous Nernst effect (ANE) originates from the Berry curvature of the conduction electrons near the Fermi energy(1,2). To design a large Berry curvature, several approaches have been considered using nodal points and lines in momentum space(3-10). Here we perform a high-throughput computational search and find that 25 percent doping of aluminium and gallium in alpha iron, a naturally abundant and low-cost element, dramatically enhances the ANE by a factor of more than ten, reaching about 4 and 6 microvolts per kelvin at room temperature, respectively, close to the highest value reported so far. The comparison between experiment and theory indicates that the Fermi energy tuning to the nodal web-a flat band structure made of interconnected nodal lines-is the key for the strong enhancement in the transverse thermoelectric coefficient, reaching a value of about 5 amperes per kelvin per metre with a logarithmic temperature dependence. We have also succeeded in fabricating thin films that exhibit a large ANE at zero field, which could be suitable for designing low-cost, flexible microelectronic thermoelectric generators(11-13).


  
Operation of a silicon quantum processor unit cell above one kelvin 期刊论文
NATURE, 2020, 580 (7803) : 350-+
作者:  Han, Kyuho;  Pierce, Sarah E.;  Li, Amy;  Spees, Kaitlyn;  Anderson, Grace R.;  Seoane, Jose A.;  Lo, Yuan-Hung;  Dubreuil, Michael;  Olivas, Micah;  Kamber, Roarke A.;  Wainberg, Michael;  Kostyrko, Kaja;  Kelly, Marcus R.;  Yousefi, Maryam;  Simpkins, Scott W.;  Yao, David
收藏  |  浏览/下载:8/0  |  提交时间:2020/07/03

Quantum computers are expected to outperform conventional computers in several important applications, from molecular simulation to search algorithms, once they can be scaled up to large numbers-typically millions-of quantum bits (qubits)(1-3). For most solid-state qubit technologies-for example, those using superconducting circuits or semiconductor spins-scaling poses a considerable challenge because every additional qubit increases the heat generated, whereas the cooling power of dilution refrigerators is severely limited at their operating temperature (less than 100 millikelvin)(4-6). Here we demonstrate the operation of a scalable silicon quantum processor unit cell comprising two qubits confined to quantum dots at about 1.5 kelvin. We achieve this by isolating the quantum dots from the electron reservoir, and then initializing and reading the qubits solely via tunnelling of electrons between the two quantum dots(7-9). We coherently control the qubits using electrically driven spin resonance(10,11) in isotopically enriched silicon(12 28)Si, attaining single-qubit gate fidelities of 98.6 per cent and a coherence time of 2 microseconds during '  hot'  operation, comparable to those of spin qubits in natural silicon at millikelvin temperatures(13-16). Furthermore, we show that the unit cell can be operated at magnetic fields as low as 0.1 tesla, corresponding to a qubit control frequency of 3.5 gigahertz, where the qubit energy is well below the thermal energy. The unit cell constitutes the core building block of a full-scale silicon quantum computer and satisfies layout constraints required by error-correction architectures(8),(17). Our work indicates that a spin-based quantum computer could be operated at increased temperatures in a simple pumped He-4 system (which provides cooling power orders of magnitude higher than that of dilution refrigerators), thus potentially enabling the integration of classical control electronics with the qubit array(18,19).


  
Loopy Levy flights enhance tracer diffusion in active suspensions 期刊论文
NATURE, 2020, 579 (7799) : 364-+
作者:  Hu, Bo;  Jin, Chengcheng;  Zeng, Xing;  Resch, Jon M.;  Jedrychowski, Mark P.;  Yang, Zongfang;  Desai, Bhavna N.;  Banks, Alexander S.;  Lowell, Bradford B.;  Mathis, Diane;  Spiegelman, Bruce M.
收藏  |  浏览/下载:16/0  |  提交时间:2020/07/03

A theoretical framework describing the hydrodynamic interactions between a passive particle and an active medium in out-of-equilibrium systems predicts long-range Levy flights for the diffusing particle driven by the density of the active component.


Brownian motion is widely used as a model of diffusion in equilibrium media throughout the physical, chemical and biological sciences. However, many real-world systems are intrinsically out of equilibrium owing to energy-dissipating active processes underlying their mechanical and dynamical features(1). The diffusion process followed by a passive tracer in prototypical active media, such as suspensions of active colloids or swimming microorganisms(2), differs considerably from Brownian motion, as revealed by a greatly enhanced diffusion coefficient(3-10) and non-Gaussian statistics of the tracer displacements(6,9,10). Although these characteristic features have been extensively observed experimentally, there is so far no comprehensive theory explaining how they emerge from the microscopic dynamics of the system. Here we develop a theoretical framework to model the hydrodynamic interactions between the tracer and the active swimmers, which shows that the tracer follows a non-Markovian coloured Poisson process that accounts for all empirical observations. The theory predicts a long-lived Levy flight regime(11) of the loopy tracer motion with a non-monotonic crossover between two different power-law exponents. The duration of this regime can be tuned by the swimmer density, suggesting that the optimal foraging strategy of swimming microorganisms might depend crucially on their density in order to exploit the Levy flights of nutrients(12). Our framework can be applied to address important theoretical questions, such as the thermodynamics of active systems(13), and practical ones, such as the interaction of swimming microorganisms with nutrients and other small particles(14) (for example, degraded plastic) and the design of artificial nanoscale machines(15).


  
Power generation from ambient humidity using protein nanowires 期刊论文
NATURE, 2020, 578 (7796) : 550-+
作者:  Luong, Duy X.;  Bets, Ksenia V.;  Algozeeb, Wala Ali;  Stanford, Michael G.;  Kittrell, Carter;  Chen, Weiyin;  Salvatierra, Rodrigo V.;  Ren, Muqing;  McHugh, Emily A.;  Advincula, Paul A.;  Wang, Zhe;  Bhatt, Mahesh;  Guo, Hua;  Mancevski, Vladimir;  Shahsavari, Rouzbeh;  Yakobson, Boris I.;  Tour, James M.
收藏  |  浏览/下载:85/0  |  提交时间:2020/07/03

Harvesting energy from the environment offers the promise of clean power for self-sustained systems(1,2). Known technologies-such as solar cells, thermoelectric devices and mechanical generators-have specific environmental requirements that restrict where they can be deployed and limit their potential for continuous energy production(3-5). The ubiquity of atmospheric moisture offers an alternative. However, existing moisture-based energy-harvesting technologies can produce only intermittent, brief (shorter than 50 seconds) bursts of power in the ambient environment, owing to the lack of a sustained conversion mechanism(6-12). Here we show that thin-film devices made from nanometre-scale protein wires harvested from the microbe Geobacter sulfurreducens can generate continuous electric power in the ambient environment. The devices produce a sustained voltage of around 0.5 volts across a 7-micrometre-thick film, with a current density of around 17 microamperes per square centimetre. We find the driving force behind this energy generation to be a self-maintained moisture gradient that forms within the film when the film is exposed to the humidity that is naturally present in air. Connecting several devices linearly scales up the voltage and current to power electronics. Our results demonstrate the feasibility of a continuous energy-harvesting strategy that is less restricted by location or environmental conditions than other sustainable approaches.


A new type of energy-harvesting device, based on protein nanowires from the microbe Geobacter sulforreducens, can generate a sustained power output by producing a moisture gradient across the nanowire film using natural humidity.


  
A droplet-based electricity generator with high instantaneous power density 期刊论文
NATURE, 2020, 578 (7795) : 392-+
作者:  Dabney, Will;  Kurth-Nelson, Zeb;  Uchida, Naoshige;  Starkweather, Clara Kwon;  Hassabis, Demis;  Munos, Remi;  Botvinick, Matthew
收藏  |  浏览/下载:173/0  |  提交时间:2020/07/03

Extensive efforts have been made to harvest energy from water in the form of raindrops(1-6), river and ocean waves(7,8), tides(9) and others(10-17). However, achieving a high density of electrical power generation is challenging. Traditional hydraulic power generation mainly uses electromagnetic generators that are heavy, bulky, and become inefficient with low water supply. An alternative, the water-droplet/solid-based triboelectric nanogenerator, has so far generated peak power densities of less than one watt per square metre, owing to the limitations imposed by interfacial effects-as seen in characterizations of the charge generation and transfer that occur at solid-liquid(1-4) or liquid-liquid(5,18) interfaces. Here we develop a device to harvest energy from impinging water droplets by using an architecture that comprises a polytetrafluoroethylene film on an indium tin oxide substrate plus an aluminium electrode. We show that spreading of an impinged water droplet on the device bridges the originally disconnected components into a closed-loop electrical system, transforming the conventional interfacial effect into a bulk effect, and so enhancing the instantaneous power density by several orders of magnitude over equivalent devices that are limited by interfacial effects.


A device involving a polytetrafluoroethylene film, an indium tin oxide substrate and an aluminium electrode allows improved electricity generation from water droplets, which bridge the previously disconnected circuit components.


  
Niobium tungsten oxides for high-rate lithium-ion energy storage 期刊论文
NATURE, 2018, 559 (7715) : 556-+
作者:  Griffith, Kent J.;  Wiaderek, Kamila M.;  Cibin, Giannantonio;  Marbella, Lauren E.;  Grey, Clare P.
收藏  |  浏览/下载:10/0  |  提交时间:2019/11/27
Resonant electro-optic frequency comb 期刊论文
NATURE, 2019, 568 (7752) : 378-+
作者:  Rueda, Alfredo;  Sedlmeir, Florian;  Kumari, Madhuri;  Leuchs, Gerd;  Schwefel, Harald G. L.
收藏  |  浏览/下载:4/0  |  提交时间:2019/11/27
Energy transduction and alternating access of the mammalian ABC transporter P-glycoprotein 期刊论文
NATURE, 2017, 543 (7647) : 738-+
作者:  Verhalen, Brandy;  Dastvan, Reza;  Thangapandian, Sundarapandian;  Peskova, Yelena;  Koteiche, Hanane A.;  Nakamoto, Robert K.;  Tajkhorshid, Emad;  Mchaourab, Hassane S.
收藏  |  浏览/下载:1/0  |  提交时间:2019/04/09