Bo Gao
YOU?
Author Swipe
View article: Prognostic impact of body composition and immune-nutritional status in oligometastatic NSCLC patients receiving radiotherapy
Prognostic impact of body composition and immune-nutritional status in oligometastatic NSCLC patients receiving radiotherapy Open
Background Metabolic and nutritional status are recognized as prognostic and predictive biomarkers in cancer treatment. However, there is limited research on oligometastatic non-small cell lung cancer (NSCLC) patients undergoing radiothera…
View article: Deep-learning segmentation and multi-ancestry GWAS enhance genetic discovery of the cerebellum
Deep-learning segmentation and multi-ancestry GWAS enhance genetic discovery of the cerebellum Open
The genetic architecture of cerebellar substructure volumes is crucial for understanding their functions in cognition, emotion, and neuropsychiatric disorders. We utilized deep-learning segmentation and multi-ancestry analysis to identify …
View article: Cross-ancestry and sex-stratified genome-wide association analyses of brain white matter principal components
Cross-ancestry and sex-stratified genome-wide association analyses of brain white matter principal components Open
White matter microstructure determines effective communications across brain regions, which can be better characterized by tract-specific principal components from diffusion tensor imaging data. Although genome-wide associations with tract…
View article: LiNbO<sub>3</sub> and LiTaO<sub>3</sub> Coating Effects on the Interface of the LiCoO<sub>2</sub> Cathode: A DFT Study of Li-Ion Transport
LiNbO<sub>3</sub> and LiTaO<sub>3</sub> Coating Effects on the Interface of the LiCoO<sub>2</sub> Cathode: A DFT Study of Li-Ion Transport Open
In solid-state batteries, the interface between cathodes and solid electrolytes is crucial and coating layers play a vital role. LiNbO3 has been known as a promising coating material, whereas recent studies showed its degradation via relea…
View article: First-Principles Study on the Interplay of Strain and State-of-Charge with Li-Ion Diffusion in the Battery Cathode Material LiCoO<sub>2</sub>
First-Principles Study on the Interplay of Strain and State-of-Charge with Li-Ion Diffusion in the Battery Cathode Material LiCoO<sub>2</sub> Open
Cathode degradation of Li-ion batteries (Li+) continues to be a crucial issue for higher energy density. A main cause of this degradation is strain due to stress induced by structural changes according to the state-of-charge (SOC). Moreove…
View article: Glyme Solvent Decomposition on Spinel Cathode Surface in Magnesium Battery
Glyme Solvent Decomposition on Spinel Cathode Surface in Magnesium Battery Open
The cathode performance is critical for developing a magnesium rechargeable battery, and spinel oxides MgM2O4 (M = Mn/Fe/Co) show promise. However, (de)magnesiation and oxidative electrolyte decomposition are major issues. In this study, w…
View article: Nonequilibrium molecular dynamics for accelerated computation of ion–ion correlated conductivity beyond Nernst–Einstein limitation
Nonequilibrium molecular dynamics for accelerated computation of ion–ion correlated conductivity beyond Nernst–Einstein limitation Open
Condensed matters with high ionic conductivities are crucial in various solid devices such as solid-state batteries. The conduction is characterized by the cooperative ionic motion associated with the high carrier density. However, the hig…
View article: Tuning the Electronic, Ion Transport, and Stability Properties of Li-rich Manganese-based Oxide Materials with Oxide Perovskite Coatings: A First-Principles Computational Study
Tuning the Electronic, Ion Transport, and Stability Properties of Li-rich Manganese-based Oxide Materials with Oxide Perovskite Coatings: A First-Principles Computational Study Open
Lithium-rich manganese-based oxides (LRMO) are regarded as promising cathode materials for powering electric applications due to their high capacity (250 mAh g-1) and energy density (∼900 Wh kg-1). However, poor cycle stability and capacit…
View article: Atomistic insight into the dopant impacts at the garnet Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> solid electrolyte grain boundaries
Atomistic insight into the dopant impacts at the garnet Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> solid electrolyte grain boundaries Open
The atomic-scale impact of dopants at the grain boundary (GB) of the Li 7 La 3 Zr 2 O 12 solid electrolyte is revealed by the first-principles calculation. The preferential sites of dopants, ion diffusions, Li interstitial stabilities and …
View article: Revealing Atomic‐Scale Ionic Stability and Transport around Grain Boundaries of Garnet Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> Solid Electrolyte
Revealing Atomic‐Scale Ionic Stability and Transport around Grain Boundaries of Garnet Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> Solid Electrolyte Open
For real applications of all‐solid‐state batteries (ASSBs) to be realized, understanding and control of the grain boundaries (GBs) are essential. However, the in‐depth insight into the atomic‐scale defect stabilities and transport of ions …
View article: Theoretical study on stability and ion transport property with halide doping of Na<sub>3</sub>SbS<sub>4</sub> electrolyte for all-solid-state batteries
Theoretical study on stability and ion transport property with halide doping of Na<sub>3</sub>SbS<sub>4</sub> electrolyte for all-solid-state batteries Open
We report a comprehensive first-principles DFT study on (electro)chemical stability, intrinsic defects, and ionic conductivity improvement by halide doping of Na 3 SbS 4 electrolyte for all-solid-state Na batteries.
View article: Mixed-Salt Enhanced Chemical Vapor Deposition of Two-Dimensional Transition Metal Dichalcogenides
Mixed-Salt Enhanced Chemical Vapor Deposition of Two-Dimensional Transition Metal Dichalcogenides Open
The usage of molten salts, e.g., Na2MoO4 and Na2WO4, has shown great success in the growth of two-dimensional (2D) transition metal dichalcogenides (TMDCs) by chemical vapor deposition (CVD). In comparison with the halide salt (i.e., NaCl,…
View article: Revealing Atomic-Scale Ionic Stability and Transport around GrainBoundaries of Garnet Li7La3Zr2O12 Solid Electrolyte
Revealing Atomic-Scale Ionic Stability and Transport around GrainBoundaries of Garnet Li7La3Zr2O12 Solid Electrolyte Open
For real application to the all-solid-state batteries, understanding and control of the grain boundaries (GBs) are essential. However, the in-depth insight into the atomic-scale defect stabilities and transports of ions around the GBs is s…
View article: Tunable Doping of Rhenium and Vanadium into Transition Metal Dichalcogenides for Two‐Dimensional Electronics
Tunable Doping of Rhenium and Vanadium into Transition Metal Dichalcogenides for Two‐Dimensional Electronics Open
Two‐dimensional (2D) transition metal dichalcogenides (TMDCs) with unique electrical properties are fascinating materials used for future electronics. However, the strong Fermi level pinning effect at the interface of TMDCs and metal elect…
View article: First-Principles Study of Microscopic Electrochemistry at the LiCoO<sub>2</sub> Cathode/LiNbO<sub>3</sub> Coating/β-Li<sub>3</sub>PS<sub>4</sub> Solid Electrolyte Interfaces in an All-Solid-State Battery
First-Principles Study of Microscopic Electrochemistry at the LiCoO<sub>2</sub> Cathode/LiNbO<sub>3</sub> Coating/β-Li<sub>3</sub>PS<sub>4</sub> Solid Electrolyte Interfaces in an All-Solid-State Battery Open
High interfacial resistance between electrode and solid electrolyte (SE) is one of the major challenges for the commercial application of all-solid-state batteries (ASSBs), and coating at the interface is an effective way for decreasing th…
View article: 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
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 Open
NASICON-type oxide Li1+xAlxTi2-x(PO4)3 (LATP) is expected to be a promising solid electrolyte (SE) for all-solid-state batteries (ASSBs) owing to its high ion conductivity and chemical stability. However, its interface properties with elec…
View article: An automated predictor for identifying transition states in solids
An automated predictor for identifying transition states in solids Open
The minimum energy path (MEP) and transition state are two key parameters in the investigation of the mechanisms of chemical reactions and structural phase transformations. However, determination of transition paths in solids is challengin…
View article: Theoretical picture of positive electrode–solid electrolyte interface in all-solid-state battery from electrochemistry and semiconductor physics viewpoints
Theoretical picture of positive electrode–solid electrolyte interface in all-solid-state battery from electrochemistry and semiconductor physics viewpoints Open
All-solid-state battery has attracted significant attention as a promising next-generation energy storage. However, interfacial resistance of ion transport between the positive electrode and solid electrolyte is still a crucial issue for t…