W. A. Goddard III

发表

Morphometry of Dendritic Materials in Rechargeable Batteries

A. Aryanfar, W. Goddard III, Sajed Medlej, 2021 .

Stabilizing Highly Active Ru Sites by Suppressing Lattice Oxygen Participation in Acidic Water Oxidation.

Huisheng Peng, Youyong Li, O. Voznyy, 2021, Journal of the American Chemical Society.

Efficient hydrogen evolution by ternary molybdenum sulfoselenide particles on self-standing porous nickel diselenide foam

Z. Ren, J. Bao, Yufeng Huang, 2016, Nature Communications.

Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics

T. Yu, Yufeng Huang, Zhengtang Luo, 2020, Nature Communications.

Atomistic Explanation of the Dramatically Improved Oxygen Reduction Reaction of Jagged Platinum Nanowires, 50 times better than Pt.

Yalu Chen, T. Cheng, W. Goddard III, 2020, Journal of the American Chemical Society.

Theoretical predictions for hot-carrier generation from surface plasmon decay

Ravishankar Sundararaman, Harry A. Atwater, William A. Goddard III, 2014, Nature Communications.

Selective CO2 Electrochemical Reduction Enabled by a Tricomponent Copolymer Modifier on a Copper Surface.

R. Grubbs, Aidan Q. Fenwick, J. Ko, 2021, Journal of the American Chemical Society.

ReaxFF Reactive Molecular Dynamics: Coupling Mechanical Impact to Chemical Initiation in Energetic Materials

Qi An, Peng Xu, Sergey V. Zybin, 2010, 2010 DoD High Performance Computing Modernization Program Users Group Conference.

Reactive Molecular Dynamics of Shock- and Shear-Induced Chemistry in Energetic Materials for Future Force Insensitive Munitions

Peng Xu, Sergey V. Zybin, William A. Goddard III, 2009, 2009 DoD High Performance Computing Modernization Program Users Group Conference.

The atomistic origin of the extraordinary oxygen reduction activity of Pt3Ni7 fuel cell catalysts

F. Negreiros, A. Fortunelli, A. Jaramillo-Botero, 2015, Chemical science.

Mechanisms and energetics of free radical initiated disulfide bond cleavage in model peptides and insulin by mass spectrometry

Chang Ho Sohn, J. Beauchamp, Daniel A. Thomas, 2015, Chemical science.

Role of Ferryl Ion Intermediates in Fast Fenton Chemistry on Aqueous Microdroplets.

C. Musgrave, M. Hoffmann, A. Colussi, 2021, Environmental science & technology.

Electrocatalysis at Organic-Metal Interfaces: Identification of Structure-Reactivity Relationships for CO2 Reduction at Modified Cu Surfaces.

F. Toma, W. Goddard, F. Toste, 2019, Journal of the American Chemical Society.

Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes

Jonathan P. Mailoa, J. Grossman, G. Samsonidze, 2019, Nature Communications.

Selective oxidation and ammoxidation of propene on bismuth molybdates, ab initio calculations

Y. H. Jang, W. Goddard III, W. A. Goddard III, 2001 .

Enhanced Oxygen Evolution Catalyzed by In-Situ Formed Fe-Doped Ni Oxyhydroxides in Carbon Nanotubes

J. Qian, Yuanyuan Guo, Qiuhong Sun, 2022, Journal of Materials Chemistry A.

Nucleation of amorphous shear bands at nanotwins in boron suboxide

Ming-Wei Chen, K. Hemker, J. Qian, 2016, Nature Communications.

Generalized extended empirical bond-order dependent force fields including nonbond interactions

T. Çagin, J. Che, W. A. Goddard III, 1999 .

Phosphine Modulation for Enhanced CO2 Capture: Quantum Mechanics Predictions of New Materials.

A. Prokofjevs, W. Goddard III, Charles B. Musgrave III, 2022, The journal of physical chemistry letters.

Stabilization of coiled-coil peptide domains by introduction of trifluoroleucine.

N Vaidehi, W. DeGrado, N. Vaidehi, 2001, Biochemistry.

A Surrogate Machine Learning Model for the Design of Single-Atom Catalyst on Carbon and Porphyrin Supports towards Electrochemistry

Shuguang Chen, Mohsen Tamtaji, Ziyang Hu, 2023, The Journal of Physical Chemistry C.

Machine Learning for Design Principles for Single Atom Catalysts towards Electrochemical reactions

Hanyu Gao, Zhengtang Luo, M. Hossain, 2022, Journal of Materials Chemistry A.

High-Throughput Screening to Predict Highly Active Dual-Atom Catalysts for Electrocatalytic Reduction of Nitrate to Ammonia

C. Musgrave, Zhengtang Luo, Faisal Rehman, 2022, SSRN Electronic Journal.

Understanding Reaction Networks through Controlled Approach to Equilibrium Experiments Using Transient Methods.

A. Fortunelli, G. Yablonsky, R. Fushimi, 2021, Journal of the American Chemical Society.

Reaction mechanism and kinetics for ammonia synthesis on the Fe(211) reconstructed surface.

A. Fortunelli, Q. An, W. Goddard III, 2019, Physical chemistry chemical physics : PCCP.

Non-bonding Interaction of Dual Atom Catalysts for Enhanced Oxygen Reduction Reaction

Tongchao Liu, K. Amine, Zhengtang Luo, 2023, Nano Energy.

Structural, dynamic, and diffusion properties of a Li6(PS4)SCl superionic conductor from molecular dynamics simulations; prediction of a dramatically improved conductor

M. Yang, B. Merinov, T. Das, 2022, Journal of Materials Chemistry A.

Hybrid Combination of Quantum Mechanics with Quantum-Based Polarizable Reactive Force Field for Large Scale Full Solvent Simulations of Electrocatalysis

Hai Xiao, Saber Naserifar, Soonho Kwon, 2020 .

A Novel Method for Estimating the Charge Equilibrium within the Dendrites of Rechargeable Batteries

A. Aryanfar, W. Goddard III, Dimitri M. Saad, 2021 .