The critical role of configurational flexibility in facilitating reversible reactive metal deposition from borohydride solutions
|
journal
|
January 2020 |
Achievements, Challenges, and Prospects of Calcium Batteries
|
journal
|
October 2019 |
Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges
|
journal
|
February 2017 |
Electrolyte Solutions with a Wide Electrochemical Window for Rechargeable Magnesium Batteries
|
journal
|
January 2008 |
Microelectrode studies of reversible Mg deposition in THF solutions containing complexes of alkylaluminum chlorides and dialkylmagnesium
|
journal
|
March 2005 |
Plating and stripping calcium in an organic electrolyte
|
journal
|
November 2017 |
A Fluorinated Alkoxyaluminate Electrolyte for Magnesium-Ion Batteries
|
journal
|
November 2016 |
A new class of non-corrosive, highly efficient electrolytes for rechargeable magnesium batteries
|
journal
|
January 2017 |
Towards stable and efficient electrolytes for room-temperature rechargeable calcium batteries
|
journal
|
January 2019 |
Widening Electrochemical Window of Mg Salt by Weakly Coordinating Perfluoroalkoxyaluminate Anion for Mg Battery Electrolyte
|
journal
|
January 2019 |
Reversible Calcium Plating and Stripping at Room Temperature Using a Borate Salt
|
journal
|
August 2019 |
Influence of Ether Solvent and Anion Coordination on Electrochemical Behavior in Calcium Battery Electrolytes
|
journal
|
July 2020 |
Rationalizing Calcium Electrodeposition Behavior by Quantifying Ethereal Solvation Effects on Ca 2+ Coordination in Well-Dissociated Electrolytes
|
journal
|
December 2020 |
Cation Solvation and Physicochemical Properties of Ca Battery Electrolytes
|
journal
|
November 2019 |
Ion Pairing and Diffusion in Magnesium Electrolytes Based on Magnesium Borohydride
|
journal
|
December 2017 |
Quantifying Species Populations in Multivalent Borohydride Electrolytes
|
journal
|
April 2021 |
Ion Pairing and Redissociaton in Low-Permittivity Electrolytes for Multivalent Battery Applications
|
journal
|
February 2020 |
Interactions and dynamics in electrolyte solutions by dielectric spectroscopy
|
journal
|
January 2009 |
Dielectric Relaxation of Aqueous NaCl Solutions
|
journal
|
January 1999 |
Complexity in “Simple” Electrolyte Solutions: Ion Pairing in MgSO 4 (aq)
|
journal
|
February 2004 |
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT
|
journal
|
June 2005 |
The Interplay between Salt Association and the Dielectric Properties of Low Permittivity Electrolytes: The Case of LiPF 6 and LiAsF 6 in Dimethyl Carbonate
|
journal
|
January 2018 |
PACKMOL: A package for building initial configurations for molecular dynamics simulations
|
journal
|
October 2009 |
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
|
journal
|
September 2015 |
Molecular dynamics with coupling to an external bath
|
journal
|
October 1984 |
Canonical sampling through velocity rescaling
|
journal
|
January 2007 |
Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant
|
journal
|
December 2011 |
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
|
journal
|
January 1996 |
Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides †
|
journal
|
July 2001 |
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
|
journal
|
January 2008 |
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
|
journal
|
August 1997 |
Polarizable continuum model: Polarizable continuum model
|
journal
|
January 2012 |
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
|
journal
|
December 2003 |
The ORCA program system: The ORCA program system
|
journal
|
June 2011 |
A new mixing of Hartree–Fock and local density‐functional theories
|
journal
|
January 1993 |
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
|
journal
|
January 2005 |
Composition of complex aluminum hydrides and borohydrides, as inferred from conductance, molecular association, and spectroscopic studies
|
journal
|
May 1973 |
Scaling Analysis of the Screening Length in Concentrated Electrolytes
|
journal
|
July 2017 |
Properties of Electrolytic Solutions. IV. The Conductance Minimum and the Formation of Triple Ions Due to the Action of Coulomb Forces 1
|
journal
|
June 1933 |
The Possible Presence of Triple Ions in Electrolyte Solutions of Low Dielectric Permittivity
|
journal
|
May 2008 |
Effect of Concentration Changes on Permittivity of Electrolyte Solutions
|
journal
|
February 1968 |
Investigation of Fundamental Transport Properties and Thermodynamics in Diglyme−Salt Solutions
|
journal
|
November 2006 |
Direct Contact versus Solvent-Shared Ion Pairs in NiCl 2 Electrolytes Monitored by Multiplet Effects at Ni(II) L Edge X-ray Absorption
|
journal
|
April 2007 |
Understanding the Effects of Concentration on the Solvation Structure of Ca 2+ in Aqueous Solution. I: The Perspective on Local Structure from EXAFS and XANES
|
journal
|
June 2003 |
Anticorrelated Contributions to Pre-edge Features of Aluminate Near-Edge X-ray Absorption Spectroscopy in Concentrated Electrolytes
|
journal
|
April 2018 |
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
|
journal
|
March 1998 |
Natural transition orbitals
|
journal
|
March 2003 |
Optimizing Calcium Electrolytes by Solvent Manipulation for Calcium Batteries
|
journal
|
April 2020 |
Tuning the Reversibility of Mg Anodes via Controlled Surface Passivation by H 2 O/Cl – in Organic Electrolytes
|
journal
|
October 2016 |
Stability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations
|
journal
|
March 2021 |
The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics
|
journal
|
February 2015 |