相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。A highly efficient and informative method to identify ion transport networks in fast ion conductors
Bing He et al.
ACTA MATERIALIA (2021)
Reconstruction of motor control circuits in adult Drosophila using automated transmission electron microscopy
Jasper S. Phelps et al.
CELL (2021)
Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows
Martin Uhrin et al.
COMPUTATIONAL MATERIALS SCIENCE (2021)
Room-Temperature Sodium-Sulfur Batteries and Beyond: Realizing Practical High Energy Systems through Anode, Cathode, and Electrolyte Engineering
Alex Yong Sheng Eng et al.
ADVANCED ENERGY MATERIALS (2021)
Understanding electrified interfaces
Stephan N. Steinmann et al.
NATURE REVIEWS MATERIALS (2021)
Identifying descriptors for Li+ conduction in cubic Li-argyrodites via hierarchically encoding crystal structure and inferring causality
Qian Zhao et al.
ENERGY STORAGE MATERIALS (2021)
Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries
Guangmin Zhou et al.
NANO LETTERS (2020)
Closed-loop optimization of fast-charging protocols for batteries with machine learning
Peter M. Attia et al.
NATURE (2020)
Designing solid-state electrolytes for safe, energy-dense batteries
Qing Zhao et al.
NATURE REVIEWS MATERIALS (2020)
Understanding interface stability in solid-state batteries
Yihan Xiao et al.
NATURE REVIEWS MATERIALS (2020)
Enhanced Multiple Anchoring and Catalytic Conversion of Polysulfides by Amorphous MoS3 Nanoboxes for High-Performance Li-S Batteries
Jian Yu et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
Development of High-Throughput Methods for Sodium-Ion Battery Cathodes
Tham Adhikari et al.
ACS COMBINATORIAL SCIENCE (2020)
High-throughput screening platform for solid electrolytes combining hierarchical ion-transport prediction algorithms
Bing He et al.
SCIENTIFIC DATA (2020)
CAVD, towards better characterization of void space for ionic transport analysis
Bing He et al.
SCIENTIFIC DATA (2020)
2D-layered Sn/Ge anodes for lithium -ion batteries with high capacity and ultra -fast Li ion diffusivity
Xiyu Cao et al.
JOURNAL OF ENERGY CHEMISTRY (2020)
Molecular design for electrolyte solvents enabling energy-dense and long-cycling lithium metal batteries
Zhiao Yu et al.
NATURE ENERGY (2020)
A petascale automated imaging pipeline for mapping neuronal circuits with high-throughput transmission electron microscopy
Wenjing Yin et al.
NATURE COMMUNICATIONS (2020)
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
Sebastiaan P. Huber et al.
SCIENTIFIC DATA (2020)
Machine learning assisted materials design and discovery for rechargeable batteries
Yue Liu et al.
ENERGY STORAGE MATERIALS (2020)
A Novel State of Charge Approach of Lithium Ion Battery Using Least Squares Support Vector Machine
Jiabo Li et al.
IEEE ACCESS (2020)
Autonomous intelligent agents for accelerated materials discovery
Joseph H. Montoya et al.
CHEMICAL SCIENCE (2020)
A Biphasic Interphase Design Enabling High Performance in Room Temperature Sodium-Sulfur Batteries
Vipin Kumar et al.
CELL REPORTS PHYSICAL SCIENCE (2020)
Autonomous Discovery of Materials for Intercalation Electrodes
Felix T. Bolle et al.
BATTERIES & SUPERCAPS (2020)
Predicting the state of charge and health of batteries using data-driven machine learning
Man-Fai Ng et al.
NATURE MACHINE INTELLIGENCE (2020)
High-throughput computational screening for solid-state Li-ion conductors
Leonid Kahle et al.
ENERGY & ENVIRONMENTAL SCIENCE (2020)
R-NEB: Accelerated Nudged Elastic Band Calculations by Use of Reflection Symmetry
Nicolai Rask Mathiesen et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Uniform Lithium Deposition Assisted by Single-Atom Doping toward High-Performance Lithium Metal Anodes
Pengbo Zhai et al.
ADVANCED ENERGY MATERIALS (2019)
An investigation of the structural properties of Li and Na fast ion conductors using high-throughput bond-valence calculations and machine learning
Nebil A. Katcho et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2019)
Data-driven prediction of battery cycle life before capacity degradation
Kristen A. Severson et al.
NATURE ENERGY (2019)
S-Doped Graphene-Regional Nucleation Mechanism for Dendrite-Free Lithium Metal Anodes
Tianshuai Wang et al.
ADVANCED ENERGY MATERIALS (2019)
High-throughput combinatorial screening of multi-component electrolyte additives to improve the performance of Li metal secondary batteries
Shoichi Matsuda et al.
SCIENTIFIC REPORTS (2019)
Elaboration of Aggregated Polysulfide Phases: From Molecules to Large Clusters and Solid Phases
Jiewen Xiao et al.
NANO LETTERS (2019)
Multi-Scale Electrolyte Transport Simulations for Lithium Ion Batteries
Felix Hanke et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2019)
Scanning probe microscopy based characterization of battery materials, interfaces, and processes
Ravindra Kempaiah et al.
NANO ENERGY (2019)
Tin Intercalated Ultrathin MoO3 Nanoribbons for Advanced Lithium-Sulfur Batteries
Weiwei Yang et al.
ADVANCED ENERGY MATERIALS (2019)
Revisiting the ionic diffusion mechanism in Li3PS4 via the joint usage of geometrical analysis and bond valence method
Li Pan et al.
JOURNAL OF MATERIOMICS (2019)
Rational design of graphitic-inorganic Bi-layer artificial SEI for stable lithium metal anode
Jinguo Zhu et al.
ENERGY STORAGE MATERIALS (2019)
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
Nicolas Mounet et al.
NATURE NANOTECHNOLOGY (2018)
The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
Sten Haastrup et al.
2D MATERIALS (2018)
Current status and challenges for automotive battery production technologies
Arno Kwade et al.
NATURE ENERGY (2018)
Accelerating the discovery of materials for clean energy in the era of smart automation
Daniel P. Tabor et al.
NATURE REVIEWS MATERIALS (2018)
Dynamic Workflows for Routine Materials Discovery in Surface Science
Kevin Tran et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2018)
Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS3
Korina Kuhar et al.
ENERGY & ENVIRONMENTAL SCIENCE (2017)
The path towards sustainable energy
Steven Chu et al.
NATURE MATERIALS (2017)
Oxysulfide LiAlSO: A Lithium Superionic Conductor from First Principles
Xuelong Wang et al.
PHYSICAL REVIEW LETTERS (2017)
Catalytic oxidation of Li2S on the surface of metal sulfides for Li-S batteries
Guangmin Zhou et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)
Atomic structure of sensitive battery materials and Interfaces revealed by cryo-electron microscopy
Yuzhang Li et al.
SCIENCE (2017)
Theoretical Investigation of 2D Layered Materials as Protective Films for Lithium and Sodium Metal Anodes
Hongzhen Tian et al.
ADVANCED ENERGY MATERIALS (2017)
A high-throughput framework for determining adsorption energies on solid surfaces
Joseph H. Montoya et al.
NPJ COMPUTATIONAL MATERIALS (2017)
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
Kiran Mathew et al.
COMPUTATIONAL MATERIALS SCIENCE (2017)
Materials discovery and design using machine learning
Yue Liu et al.
JOURNAL OF MATERIOMICS (2017)
Designing high-energy lithium-sulfur batteries
Zhi Wei Seh et al.
CHEMICAL SOCIETY REVIEWS (2016)
Amp: A modular approach to machine learning in atomistic simulations
Alireza Khorshidi et al.
COMPUTER PHYSICS COMMUNICATIONS (2016)
An automated nudged elastic band method
Esben L. Kolsbjerg et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
An efficient algorithm for finding the minimum energy path for cation migration in ionic materials
Ziqin Rong et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Combinatorial Synthesis of Epitaxial LiCoO2 Thin Films on SrTiO3(001) via On-Substrate Sintering of Li2CO3 and CoO by Pulsed Laser Deposition
Shingo Maruyama et al.
ACS COMBINATORIAL SCIENCE (2016)
Versatile electrochemical cell for Li/Na-ion batteries and high-throughput setup for combined operando X-ray diffraction and absorption spectroscopy
Jonas Sottmann et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2016)
Carbon materials for Li-S batteries: Functional evolution and performance improvement
Ji Liang et al.
ENERGY STORAGE MATERIALS (2016)
An Automated Microwave-Assisted Synthesis Purification System for Rapid Generation of Compound Libraries
Noah P. Tu et al.
JALA (2016)
The Electrolyte Genome project: A big data approach in battery materials discovery
Xiaohui Qu et al.
COMPUTATIONAL MATERIALS SCIENCE (2015)
The AFLOW standard for high-throughput materials science calculations
Camilo E. Calderon et al.
COMPUTATIONAL MATERIALS SCIENCE (2015)
FireWorks: a dynamic workflow system designed for high-throughput applications
Anubhav Jain et al.
CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE (2015)
Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening
Lei Cheng et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
Advances in sealed liquid cells for in-situ TEM electrochemial investigation of lithium-ion battery
Fan Wu et al.
NANO ENERGY (2015)
Ultimate Limits to Intercalation Reactions for Lithium Batteries
M. Stanley Whittingham
CHEMICAL REVIEWS (2014)
Facile synthesis of-Li2S-polypyrrole composite structures for high-performance Li2S cathodes
Zhi Wei Seh et al.
ENERGY & ENVIRONMENTAL SCIENCE (2014)
Visualization of Electrode-Electrolyte Interfaces in LiPF6/EC/DEC Electrolyte for Lithium Ion Batteries via in Situ TEM
Zhiyuan Zeng et al.
NANO LETTERS (2014)
Two-dimensional layered transition metal disulphides for effective encapsulation of high-capacity lithium sulphide cathodes
Zhi Wei Seh et al.
NATURE COMMUNICATIONS (2014)
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
Shyue Ping Ong et al.
COMPUTATIONAL MATERIALS SCIENCE (2013)
The analysis of a plane wave pseudopotential density functional theory code on a GPU machine
Weile Jia et al.
COMPUTER PHYSICS COMMUNICATIONS (2013)
Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines
Weile Jia et al.
JOURNAL OF COMPUTATIONAL PHYSICS (2013)
In situ investigation of electrochemical devices using ambient pressure photoelectron spectroscopy
Ethan J. Crumlin et al.
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2013)
The Li-Ion Rechargeable Battery: A Perspective
John B. Goodenough et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Microfluidic redox battery
Jin Wook Lee et al.
LAB ON A CHIP (2013)
Understanding the Role of Different Conductive Polymers in Improving the Nanostructured Sulfur Cathode Performance
Weiyang Li et al.
NANO LETTERS (2013)
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Anubhav Jain et al.
APL MATERIALS (2013)
Inorganic thin-film combinatorial studies for rapidly optimising functional properties
Andreas Kafizas et al.
CHEMICAL SOCIETY REVIEWS (2012)
AFLOW: An automatic framework for high-throughput materials discovery
Stefano Curtarolo et al.
COMPUTATIONAL MATERIALS SCIENCE (2012)
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
Stefano Curtarolo et al.
COMPUTATIONAL MATERIALS SCIENCE (2012)
Li-O2 and Li-S batteries with high energy storage
Peter G. Bruce et al.
NATURE MATERIALS (2012)
Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration
Saulius Grazulis et al.
NUCLEIC ACIDS RESEARCH (2012)
Ab initio random structure searching
Chris J. Pickard et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2011)
A lithium superionic conductor
Noriaki Kamaya et al.
NATURE MATERIALS (2011)
High power lithium ion battery materials by computational design
Stefan Adams et al.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE (2011)
High-Throughput Method to Study the Effect of Precursors and Temperature, Applied to the Synthesis of LiNi1/3Co1/3Mn1/3O2 for Lithium Batteries
Matthew Roberts et al.
ACS COMBINATORIAL SCIENCE (2011)
High-throughput quantum chemistry and virtual screening for lithium ion battery electrolyte additives
Mathew D. Halls et al.
JOURNAL OF POWER SOURCES (2010)
Crystal structure prediction via particle-swarm optimization
Yanchao Wang et al.
PHYSICAL REVIEW B (2010)
Optimization methods for finding minimum energy paths
Daniel Sheppard et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
USPEX - Evolutionary crystal structure prediction
Colin W. Glass et al.
COMPUTER PHYSICS COMMUNICATIONS (2006)
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
A Belsky et al.
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE (2002)