Yi Cui

Bio: Yi Cui is an academic researcher from Stanford University. The author has contributed to research in topics: Anode & Lithium. The author has an hindex of 220, co-authored 1015 publications receiving 199725 citations. Previous affiliations of Yi Cui include KAIST & University of California, Berkeley.

First-principles approaches to simulate lithiation in silicon electrodes

Abstract: Silicon is viewed as an excellent electrode material for lithium batteries due to its high lithium storage capacity. Various Si nanostructures, such as Si nanowires, have performed well as lithium battery anodes and have opened up exciting opportunities for the use of Si in energy storage devices. The mechanism of lithium insertion and the interaction between Li and the Si electrode must be understood at the atomic level; this understanding can be achieved by first-principles simulation. Here, first-principles computations of lithiation in silicon electrodes are reviewed. The review focuses on three aspects: the various properties of bulk Li?Si compounds with different Li concentrations, the electronic structure of Si nanowires and Li insertion behavior in Si nanowires, and the dynamic lithiation process at the Li/Si interface. Potential study directions in this research field and difficulties that the field still faces are discussed at the end.

Oxidation processes on conducting carbon additives for lithium-ion batteries

Abstract: The oxidation processes at the interface between different types of typical carbon additives for lithium-ion batteries and carbonates electrolyte above 5 V versus Li/Li+ were investigated. Depending on the nature and surface area of the carbon additive, the irreversible capacity during galvanostatic cycling between 2.75 and 5.25 V versus Li/Li+ could be as high as 700 mAh g−1 (of carbon). In the potential region below 5 V versus Li/Li+, high surface carbon additives also showed irreversible plateaus at about 4.1–4.2 and 4.6 V versus Li/Li+. These plateaus disappeared after thermal treatments at or above 150 °C in inert gas. The influence of the irreversible capacity of carbon additives on the overall performances of positive electrodes was discussed.

Encapsulated sulfur cathodes for rechargeable lithium batteries

Abstract: A battery includes an anode, a cathode, and an electrolyte disposed between the anode and the cathode. The cathode includes a hollow structure defining an internal volume and a sulfur-based material disposed within the internal volume. A characteristic dimension of the internal volume is at least 20 nm, and the sulfur-based material occupies less than 100% of the internal volume to define a void.

Interconnecting electrochemically active material nanostructures

Abstract: Provided are various examples of lithium electrode subassemblies, lithium ion cells using such subassemblies, and methods of fabricating such subassemblies. Methods generally include receiving nanostructures containing electrochemically active materials and interconnecting at least a portion of these nanostructures. Interconnecting may involve depositing one or more interconnecting materials, such as amorphous silicon and/or metal containing materials. Interconnecting may additionally or alternatively involve treating a layer containing the nanostructures using various techniques, such as compressing the layer, heating the layer, and/or passing an electrical current through the layer. These methods may be used to interconnect nanostructures containing one or more high capacity materials, such as silicon, germanium, and tin, and having various shapes or forms, such as nanowires, nanoparticles, and nano-flakes.

Enhanced Cyclability of Li/Polysulfide Batteries by a Polymer-Modified Carbon Paper Current Collector

Abstract: Lithium–sulfur (Li–S) batteries are considered to be the next-generation rechargeable systems due to their high energy densities and low cost However, significant capacity decay over cycling is a major impediment for their practical applications Polysulfides Li2Sx (3 < x ≤ 8) formed in the cycling are soluble in liquid electrolyte, which is the main reason for capacity loss and cycling instability Functional polymers can tune the structure and property of sulfur electrodes, hold polysulfides, and improve cycle life Herein, we examine a polyvinylpyrrolidone-modified carbon paper (CP-PVP) current collector in Li/polysulfide cells PVP is soluble in the electrolyte solvent, but shows strong affinity with lithium polysulfides The retention of polysulfides in the CP-PVP current collector is improved by ∼50%, which is measured by a linear sweep voltammetry method Without LiNO3 additive in the electrolyte, the CP-PVP current collector with 50 μg of PVP can significantly improve cycling stability with a cap

I and i

Abstract: There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality. Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

Fast parallel algorithms for short-range molecular dynamics

Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

Abstract: 抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。