DFT simulations and fine-tuned theoretical linear solvation energy relationship (TLSER) models for predicting organic compound adsorption onto diverse boron nitride nanotubes (BNNTs)

14 predictive models based on the fine-tuned TLSER were developed for estimating the adsorption energy ( E ad ) onto BNNTs with varying diameters/types of chirality.

Institutions

Publication Details

Journal
Environmental Science Nano
Published
2025-11-13
DOI
https://doi.org/10.1039/d5en00889a
Primary Topic
Boron and Carbon Nanomaterials Research
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

DFT simulations and fine-tuned theoretical linear solvation energy relationship (TLSER) models for predicting organic compound adsorption onto diverse boron nitride nanotubes (BNNTs)

Environmental Science Nano
Boron and Carbon Nanomaterials Research
article

DFT simulations and fine-tuned theoretical linear solvation energy relationship (TLSER) models for predicting organic compound adsorption onto diverse boron nitride nanotubes (BNNTs)

article en

Abstract

14 predictive models based on the fine-tuned TLSER were developed for estimating the adsorption energy ( E ad ) onto BNNTs with varying diameters/types of chirality.

Environmental Science NanoVol. 13(1)
Sinopec (China) (CN), Dalian University of Technology (CN), State Key Joint Laboratory of Environment Simulation and Pollution Control (CN), Dalian Maritime University (CN), Sinopec Research Institute of Petroleum Processing, University of Science and Technology Beijing (CN), Tsinghua University (CN)
Affordable and clean energy
Openalex Percentile: Top 57%
Boron and Carbon Nanomaterials Research
DOISourceOpenAlex
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

DFT simulations and fine-tuned theoretical linear solvation energy relationship (TLSER) models for predicting organic compound adsorption onto diverse boron nitride nanotubes (BNNTs) · Environmental Science Nano (2025) | TGRS Research Map | TGRS