R. Jalem

发表

Data‐Driven Materials Exploration for Li‐Ion Conductive Ceramics by Exhaustive and Informatics‐Aided Computations

I. Takeuchi, M. Nakayama, Kenta Kanamori, 2018, The Chemical Record.

An efficient rule-based screening approach for discovering fast lithium ion conductors using density functional theory and artificial neural networks

Toshihiro Kasuga, Masanobu Nakayama, Randy Jalem, 2014 .

Experimental and first-principles DFT study on the electrochemical reactivity of garnet-type solid electrolytes with carbon

M. Nakayama, R. Jalem, T. Kasuga, 2016 .

A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data

I. Takeuchi, M. Nakayama, R. Jalem, 2018, Science and technology of advanced materials.

Bayesian-Driven First-Principles Calculations for Accelerating Exploration of Fast Ion Conductors for Rechargeable Battery Application

Ichiro Takeuchi, Kenta Kanamori, Toshiya Saito, 2018, Scientific Reports.

Insights into the Lithium-Ion Conduction Mechanism of Garnet-Type Cubic Li5La3Ta2O12 by ab-Initio Calculations

M. Nakayama, R. Jalem, T. Kasuga, 2015 .

Electronic structure of spinel-type LiNi1/2Ge3/2O4 and LiNi1/2Mn3/2O4 as positive electrodes for rechargeable Li-ion batteries studied by first-principles density functional theory

M. Nakayama, R. Jalem, T. Kasuga, 2014 .

High‐Throughput Data‐Driven Prediction of Stable High‐Performance Na‐Ion Sulfide Solid Electrolytes

R. Jalem, Y. Tateyama, Seong‐Hoon Jang, 2022, Advanced Functional Materials.

Preparation and characterization of proton conducting phosphosilicate glass membranes with different catalyst layers for low-temperature H2/O2 fuel cells

M. Nogami, R. Jalem, G. Lakshminarayana, 2010 .

Electrochemical characterization of a porous Pt nanoparticle “Nanocube-Mosaic” prepared by a modified polyol method with HCl addition

M. Nogami, M. Nakayama, R. Jalem, 2011 .

Synthesis of Porous Single-Crystalline Platinum Nanocubes Composed of Nanoparticles.

Y. Sasaki, M. Nogami, R. Jalem, 2010, The journal of physical chemistry letters.

Li+ Transport Mechanism at the Heterogeneous Cathode/Solid Electrolyte Interface in an All-Solid-State Battery via the First-Principles Structure Prediction Scheme

Yanming Ma, R. Jalem, Y. Tateyama, 2019, Chemistry of Materials.

Alkali Ion Transport in Tavorite-Type ABTO4X (A: Li, Na; B-T: Al-P, Mg-S; X: F)

M. Nakayama, R. Jalem, T. Kasuga, 2014 .

Informatics-Aided Density Functional Theory Study on the Li Ion Transport of Tavorite-Type LiMTO4F (M3+-T5+, M2+-T6+)

Mayumi Kimura, Randy Jalem, Masanobu Nakayama, 2015, J. Chem. Inf. Model..

Tuning the performance of a Mg negative electrode through grain boundaries and alloying toward the realization of Mg batteries

R. Jalem, Y. Tateyama, M. Matsui, 2021 .

Bayesian-Driven First-Principles Calculations for Accelerating Exploration of Fast Ion Conductors for Rechargeable Battery Application

I. Takeuchi, M. Nakayama, Kenta Kanamori, 2018, Scientific Reports.

Density functional studies of olivine-type LiFePO4 and NaFePO4 as positive electrode materials for rechargeable lithium and sodium ion batteries

M. Nakayama, R. Jalem, T. Kasuga, 2016 .

Significant Reduction in the Interfacial Resistance of Garnet-Type Solid Electrolyte and Lithium Metal by a Thick Amorphous Lithium Silicate Layer

K. Tadanaga, R. Jalem, Y. Tateyama, 2020 .

Theoretical study on stability and ion transport property with halide doping of Na3SbS4 electrolyte for all-solid-state batteries

R. Jalem, Y. Tateyama, Hongye Tian, 2021, Journal of Materials Chemistry A.

Atomistic insight into the dopant impacts at the garnet Li7La3Zr2O12 solid electrolyte grain boundaries

R. Jalem, Y. Tateyama, Bo Gao, 2022, Journal of Materials Chemistry A.

Introduction to Rational Molecular Modeling Approaches

M. Nakayama, R. Jalem, 2015 .

Synthesis and characterization of polyhedral Pt nanoparticles: their catalytic property, surface attachment, self-aggregation and assembly.

Nguyen Viet Long, M. Nogami, R. Jalem, 2011, Journal of colloid and interface science.

Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes

M. Nakayama, R. Jalem, T. Kasuga, 2015 .

Surface-Dependent Stability of the Interface between Garnet Li7La3Zr2O12 and the Li Metal in the All-Solid-State Battery from First-Principles Calculations.

R. Jalem, Y. Tateyama, Bo Gao, 2020, ACS applied materials & interfaces.

Concerted Migration Mechanism in the Li Ion Dynamics of Garnet-Type Li7La3Zr2O12

Toshihiro Kasuga, Masanobu Nakayama, Kiyoshi Kanamura, 2013 .

First-Principles Study of Microscopic Electrochemistry at the LiCoO2 Cathode/LiNbO3 Coating/β-Li3PS4 Solid Electrolyte Interfaces in an All-Solid-State Battery.

R. Jalem, Y. Tateyama, Bo Gao, 2021, ACS applied materials & interfaces.

Theoretical picture of positive electrode–solid electrolyte interface in all-solid-state battery from electrochemistry and semiconductor physics viewpoints

R. Jalem, J. Haruyama, Y. Tateyama, 2019, Current Opinion in Electrochemistry.

Revealing Atomic‐Scale Ionic Stability and Transport around Grain Boundaries of Garnet Li7La3Zr2O12 Solid Electrolyte

R. Jalem, Y. Tateyama, Hongru Tian, 2021, Advanced Energy Materials.

Electron and Ion Transfer across Interfaces of the NASICON-Type LATP Solid Electrolyte with Electrodes in All-Solid-State Batteries: A Density Functional Theory Study via an Explicit Interface Model.

R. Jalem, S. Muto, Y. Tateyama, 2020, ACS applied materials & interfaces.

Microwave assisted preparation of LiFePO4/C coated LiMn1.6Ni0.4O4 for Li-ion batteries with superior electrochemical properties

K. Tadanaga, R. Jalem, N. Rosero-Navarro, 2023, Applied Materials Today.

Synthesis and characterization of polyhedral and quasi-sphere non-polyhedral Pt nanoparticles: effects of their various surface morphologies and sizes on electrocatalytic activity for fuel cell applications

Nguyen Viet Long, M. Nogami, R. Jalem, 2011 .

First-Principles DFT Study on Inverse Ruddlesden–Popper Tetragonal Compounds as Solid Electrolytes for All-Solid-State Li+-Ion Batteries

M. Nakayama, R. Jalem, Y. Tateyama, 2021 .

Chemical stability of Li4PS4I solid electrolyte against hydrolysis

K. Tadanaga, R. Jalem, Y. Tateyama, 2021, Applied Materials Today.

Multivariate Method-Assisted Ab Initio Study of Olivine-Type LiMXO4 (Main Group M2+–X5+ and M3+–X4+) Compositions as Potential Solid Electrolytes

Masayuki Nogami, Takahiro Aoyama, Masanobu Nakayama, 2012 .

First-Principles Investigation of the Na+ Ion Transport Property in Oxyfluorinated Titanium(IV) Phosphate Na3Ti2P2O10F

M. Nakayama, R. Jalem, T. Kasuga, 2016 .

Molecular Dynamics Studies on the Lithium Ion Conduction Behaviors Depending on Tilted Grain Boundaries with Various Symmetries in Garnet-Type Li7La3Zr2O12

M. Nakayama, R. Jalem, N. Zettsu, 2018, The Journal of Physical Chemistry C.

Efficient automatic screening for Li ion conductive inorganic oxides with bond valence pathway models and percolation algorithm

M. Nakayama, R. Jalem, Mayumi Kimura, 2015 .

EwaldSolidSolution: A High-Throughput Application to Quickly Sample Stable Site Arrangements for Ionic Solid Solutions.

R. Jalem, Y. Tateyama, Seong-Hoon Jang, 2023, The journal of physical chemistry. A.

Evaluation of battery positive-electrode performance with simultaneous ab-initio calculations of both electronic and ionic conductivities

R. Jalem, Y. Tateyama, H. D. Luong, 2023, Journal of Power Sources.

Combined Computational and Experimental Study of Li Exchange Reaction at the Surface of Spinel LiMn2O4 as a Rechargeable Li-Ion Battery Cathode

M. Nakayama, R. Jalem, Tomoaki Nakamura, 2014 .

High-Pressure Synthesis and Lithium-Ion Conduction of Li4OBr2 Derivatives with a Layered Inverse-Perovskite Structure

R. Jalem, Takafumi D. Yamamoto, Y. Tateyama, 2021, Chemistry of Materials.

First-Principles Calculation Study of Na+ Superionic Conduction Mechanism in W- and Mo-Doped Na3SbS4 Solid Electrolytes

R. Jalem, Y. Tateyama, A. Hayashi, 2020 .

Global minimum structure search in Li(x)CoO2 composition using a hybrid evolutionary algorithm.

M. Nogami, M. Nakayama, R. Jalem, 2012, Physical chemistry chemical physics : PCCP.

Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods

R. Jalem, Y. Tateyama, K. Takada, 2023, The Journal of Physical Chemistry C.

Lithium ion conduction in tavorite-type LiMXO4F (M–X: AlP, MgS) candidate solid electrolyte materials

M. Nakayama, R. Jalem, T. Kasuga, 2014 .