Publications de Peter George Boyd

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In this work, we report the synthesis of SION-8, a novel metal-organic framework (MOF) based on Ca(II) and a tetracarboxylate ligand TBAPy(4-) endowed with two chemically distinct types of pores characterized by their hydrophobic and hydrophilic properties ...

Charge equilibration (Qeq) methods can estimate the electrostatic potential of molecules and periodic frameworks by assigning point charges to each atom, using only a small fraction of the resources needed to compute density functional (DFT)-derived charge ...

Limiting the increase of CO2 in the atmosphere is one of the largest challenges of our generation(1). Because carbon capture and storage is one of the few viable technologies that can mitigate current CO2 emissions(2), much effort is focused on developing ...

There is currently a push towards big data and data mining in materials research to accelerate discovery. Zeolites, metal-organic frameworks and other related crystalline porous materials are not immune to this phenomenon, as evidenced by the proliferation ...

Pore volume is one of the main properties for the characterization of microporous crystals. It is experimentally measurable, and it can also be obtained from the refined unit cell by a number of computational techniques. In this work, we assess the accurac ...

Biologically derived metal-organic frameworks (bio-MOFs) are of great importance as they can be used as models for bio-mimicking and in catalysis, allowing us to gain insights into how large biological molecules function. Through rational design, here we r ...

The present invention relates to the removal of carbon dioxide from gases. More particularly, the invention relates to the use of metal-organic frameworks for a selective adsorption of carbon dioxide from a gas. Further, the invention relates to a method f ...

Peter George Boyd

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Biporous Metal-Organic Framework with Tunable CO2/CH4 Separation Performance Facilitated by Intrinsic Flexibility

Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials

Data-driven design of metal-organic frameworks for wet flue gas CO2 capture

Computational development of the nanoporous materials genome

Accurate Characterization of the Pore Volume in Microporous Crystalline Materials

Nucleobase pairing and photodimerization in a biologically derived metal-organic framework nanoreactor

Selective adsorption of carbon dioxide by a metal-organic framework

Formation pathways of metal–organic frameworks proceeding through partial dissolution of the metastable phase

Reply to "Inconsistencies in the specific nucleobase pairing motif prone to photodimerization in a MOF nanoreactor"