In Table we compare the calculations with and

Difference between calculations with and without van der Waals and dipole corrections in halogen-adsorbed graphene. All values are in %. B, H, T, Z, A are bridge, hollow, top, zigzag and armchair.Atomic ratioFClBrIBHTZAZAZA1:6E1 a3.40.34.813.1–22.6–30.6–E2 b3.20.64.714.0–29.5–52.0–Adatom height0.12.00.27.0–10.9–14.3–Fermi NMS-873 shiftc0.21.10.61.1–0.2–3.7–Graphene distortion0.54.30.128.4–67.1–69.4–Magnetization–1.3–1.9–2.7–5.3–Charge transfer0.02.30.56.7–7.6–4.3–1:8E1 a3.00.54.613.811.924.721.635.030.2E2 b3.00.64.513.712.426.425.345.644.7Adatom height0.12.30.26.55.78.99.110.311.8Fermi energy shiftc0.21.40.82.52.01.51.22.42.3Graphene distortion0.424.80.545.89.047.916.862.114.5Magnetization0.52.35.41.21.71.42.31.01.4Charge transfer0.12.70.66.15.35.65.63.63.41:18E1 a2.81.34.56.9–16.2–32.5–E2 b2.81.34.56.9–16.3–33.1–Adatom height0.60.10.45.3–7.9–8.1–Fermi energy shiftc0.80.11.02.0–1.8–1.8–Graphene distortion4.740.92.842.2–50.8–42.7–Magnetization1.20.1–2.2–2.6–1.6–Charge transfer1.30.00.33.5–3.4–2.4–aBinding energy with respect to adatom.bBinding energy with respect to adatom-adatom interaction.cFermi energy shift from pristine graphene.Full-size tableTable optionsView in workspaceDownload as CSV