Yury Gogotsi

Bio: Yury Gogotsi is an academic researcher from Drexel University. The author has contributed to research in topics: MXenes & Carbon. The author has an hindex of 171, co-authored 956 publications receiving 144520 citations. Previous affiliations of Yury Gogotsi include Qatar Airways & Clemson University.

Percolation Characteristics of Conductive Additives for Capacitive Flowable (Semi-Solid) Electrodes

Abstract: Understanding the percolation characteristics of multicomponent conducting suspensions is critical for the development of flowable (semi-solid) electrochemical systems for energy storage and capaci...

Superfast high-energy storage hybrid device composed of MXene and Chevrel-phase electrodes operated in saturated LiCl electrolyte solution

Abstract: Development of high power devices with improved energy density is a highly desired target for advanced energy storage applications. Herein we propose a new strategy of triply-hybridized supercapacitive energy storage device composed of hybrid battery–supercapacitor negative electrode [Mo6S8 (Chevrel-phase)/Ti3C2 (MXene)] coupled with positive nanoporous carbon electrode, integrated with novel yet unexplored saturated (14 M) aqueous solution of LiCl. The electrochemical stability window of this electrolyte solution (2.70 V) significantly exceeds the cell voltage (2.05 V) relevant for the asymmetrical (hybrid anode vs. carbon cathode) cells. The aqueous 14 M LiCl solution has far superior characteristics to that of the previously studies 21 m LiTFSI aqueous solution. The paper is also focused on a deep electroanalytical analysis of a peculiar redox/capacitive heterogeneity of hybrid electrodes. It establishes a variety of additivity rules for both differential and integral equilibrium and kinetic characteristics of the charging processes in hybrid electrodes, solving the puzzle of potential distribution of specific electrochemical energy stored the hybrid electrodes. A careful 3-level hybridization design of asymmetric supercapacitive storage devices enabled the integration of battery and supercapacitor materials to get free-standing binderless electrodes suitable for high power/high energy density systems. Studying thoroughly the properties of highly concentrated solutions such as aqueous 14 M LiCl, which are very suitable for different types of supercapacitive devices, combined with profound analyses of the properties of hybrid electrodes, will pave the way for a rational design of very effective devices for energy storage and conversion.

Field controlled nematic-to-isotropic phase transition in liquid crystal–carbon nanotube composites

Abstract: A nematic-to-isotropic transition has been observed in suspensions of carbon nanotubes (CNTs) and a cyanobiphenyl-based liquid crystal (LC) confined within an indium tin oxide glass sandwich cell. Upon the application of electric field, CNTs rotate out of plane short-circuiting the electrodes and producing a current flow through the CNTs. The resulting Joule heating leads to a local increase in temperature of the LC-CNT medium. Hence, starting from a metastable nematic phase, a complete transition to the isotropic phase is observed. On removal of the electric field, the transition is reversed with the LC-CNT medium returning to the nematic phase.

Distinguishing electronic contributions of surface and sub-surface transition metal atoms in Ti-based MXenes

Abstract: Author(s): Yang, Y; Hantanasirisakul, K; Frey, NC; Anasori, B; Green, RJ; Rogge, PC; Waluyo, I; Hunt, A; Shafer, P; Arenholz, E; Shenoy, VB; Gogotsi, Y; May, SJ | Abstract: MXenes are a rapidly-expanding family of 2D transition metal carbides and nitrides that have attracted attention due to their excellent performance in applications ranging from energy storage to electromagnetic interference shielding. Numerous other electronic and magnetic properties have been computationally predicted, but not yet realized due to the experimental difficulty in obtaining uniform surface terminations (Tx), necessitating new design approaches for MXenes that are independent of surface terminations. In this study, we distinguished the contributions of surface and sub-surface Ti atoms to the electronic structure of four Ti-containing MXenes (Ti2CTx, Ti3C2Tx, Cr2TiC2Tx, and Mo2TiC2Tx) using soft x-ray absorption spectroscopy. For MXenes with no Ti atoms on the surface transition metal layers, such as Mo2TiC2Tx and Cr2TiC2Tx, our results show minimal changes in the spectral features between the parent MAX phase and its MXene. In contrast, for MXenes with surface Ti atoms, here Ti3C2Tx and Ti2CTx, the Ti L-edge spectra are significantly modified compared to their parent MAX phase compounds. First principles calculations provide similar trends in the partial density of states derived from surface and sub-surface Ti atoms, corroborating the spectroscopic measurements. These results reveal that electronic states derived from sub-surface M-site layers are largely unperturbed by the surface terminations, indicating a relatively short length scale over which the Tx terminations alter the nominal electron count associated with Ti atoms and suggesting that desired band features should be hosted by sub-surface M-sites that are electronically more robust than their surface M-site counterparts.

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。

Materials for electrochemical capacitors

Abstract: Electrochemical capacitors, also called supercapacitors, store energy using either ion adsorption (electrochemical double layer capacitors) or fast surface redox reactions (pseudo-capacitors). They can complement or replace batteries in electrical energy storage and harvesting applications, when high power delivery or uptake is needed. A notable improvement in performance has been achieved through recent advances in understanding charge storage mechanisms and the development of advanced nanostructured materials. The discovery that ion desolvation occurs in pores smaller than the solvated ions has led to higher capacitance for electrochemical double layer capacitors using carbon electrodes with subnanometre pores, and opened the door to designing high-energy density devices using a variety of electrolytes. Combination of pseudo-capacitive nanomaterials, including oxides, nitrides and polymers, with the latest generation of nanostructured lithium electrodes has brought the energy density of electrochemical capacitors closer to that of batteries. The use of carbon nanotubes has further advanced micro-electrochemical capacitors, enabling flexible and adaptable devices to be made. Mathematical modelling and simulation will be the key to success in designing tomorrow's high-energy and high-power devices.